H-DL-Phe-DL-Val-DL-Asn-DL-Gln-DL-His-DL-Leu-DL-Cys(1)-Gly-DL-Ser-DL-His-DL-Leu-DL-Val-DL-Glu-DL-Ala-DL-Leu-DL-Tyr-DL-Leu-DL-Val-DL-Cys(2)-Gly-DL-Glu-DL-Arg-Gly-DL-Phe-DL-Phe-DL-Tyr-DL-xiThr-DL-Asp-DL-Lys-DL-xiThr-OH.H-Gly-DL-xiIle-DL-Val-DL-Glu-DL-Gln-DL-Cys(3)-DL-Cys(1)-DL-xiThr-DL-Ser-DL-xiIle-DL-Cys(3)-DL-Ser-DL-Leu-DL-Tyr-DL-Gln-DL-Leu-DL-Glu-DL-Asn-DL-Tyr-DL-Cys(2)-DL-Asn-OH

Basic Information

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CAS Number

116094-23-6

Molecular Formula

C256H381N65O79S6

Molecular Weight

5826 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

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CCC(C)C1C(=O)NC2CSSCC(C(=O)NC(CSSCC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC2=O)CO)CC(C)C)CC3=CC=C(C=C3)O)CCC(=O)N)CC(C)C)CCC(=O)O)CC(=O)N)CC4=CC=C(C=C4)O)C(=O)NC(CC(=O)N)C(=O)O)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NC(CC5=CC=CC=C5)C(=O)NC(CC6=CC=CC=C6)C(=O)NC(CC7=CC=C(C=C7)O)C(=O)NC(C(C)O)C(=O)NC(CC(=O)O)C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)O)C(C)C)CC(C)C)CC8=CC=C(C=C8)O)CC(C)C)C)CCC(=O)O)C(C)C)CC(C)C)CC9=CNC=N9)CO)NC(=O)C(CC(C)C)NC(=O)C(CC2=CNC=N2)NC(=O)C(CCC(=O)N)NC(=O)C(CC(=O)N)NC(=O)C(C(C)C)NC(=O)C(CC2=CC=CC=C2)N)C(=O)NC(C(=O)NC(C(=O)N1)CO)C(C)O)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)O)NC(=O)C(C(C)C)NC(=O)C(C(C)CC)NC(=O)CN

InChI

InChI=1S/C256H381N65O79S6/c1-29-129(23)204(313-191(338)102-258)251(394)317-203(128(21)22)247(390)287-157(73-80-198(348)349)216(359)282-154(69-76-187(262)334)220(363)308-182-114-404-405-115-183-243(386)305-177(109-323)240(383)293-160(85-121(7)8)224(367)294-166(92-138-51-59-144(328)60-52-138)227(370)283-152(67-74-185(260)332)217(360)289-159(84-120(5)6)222(365)285-156(72-79-197(346)347)219(362)301-172(98-188(263)335)234(377)297-168(94-140-55-63-146(330)64-56-140)230(373)309-181(242(385)304-175(254(397)398)100-190(265)337)113-403-402-112-180(213(356)272-105-192(339)277-151(70-77-195(342)343)215(358)280-149(50-42-82-270-256(266)267)211(354)271-106-193(340)278-164(90-136-45-36-32-37-46-136)226(369)296-165(91-137-47-38-33-39-48-137)229(372)298-169(95-141-57-65-147(331)66-58-141)238(381)319-206(132(26)325)252(395)303-174(101-199(350)351)235(378)281-150(49-40-41-81-257)221(364)321-208(134(28)327)255(399)400)311-249(392)202(127(19)20)316-236(379)162(87-123(11)12)291-228(371)167(93-139-53-61-145(329)62-54-139)295-223(366)158(83-119(3)4)288-209(352)131(25)276-214(357)155(71-78-196(344)345)286-246(389)201(126(17)18)315-237(380)163(88-124(13)14)292-232(375)171(97-143-104-269-118-275-143)300-239(382)176(108-322)279-194(341)107-273-212(355)179(111-401-406-116-184(310-244(182)387)245(388)320-207(133(27)326)253(396)306-178(110-324)241(384)318-205(130(24)30-2)250(393)312-183)307-225(368)161(86-122(9)10)290-231(374)170(96-142-103-268-117-274-142)299-218(361)153(68-75-186(261)333)284-233(376)173(99-189(264)336)302-248(391)200(125(15)16)314-210(353)148(259)89-135-43-34-31-35-44-135/h31-39,43-48,51-66,103-104,117-134,148-184,200-208,322-331H,29-30,40-42,49-50,67-102,105-116,257-259H2,1-28H3,(H2,260,332)(H2,261,333)(H2,262,334)(H2,263,335)(H2,264,336)(H2,265,337)(H,268,274)(H,269,275)(H,271,354)(H,272,356)(H,273,355)(H,276,357)(H,277,339)(H,278,340)(H,279,341)(H,280,358)(H,281,378)(H,282,359)(H,283,370)(H,284,376)(H,285,365)(H,286,389)(H,287,390)(H,288,352)(H,289,360)(H,290,374)(H,291,371)(H,292,375)(H,293,383)(H,294,367)(H,295,366)(H,296,369)(H,297,377)(H,298,372)(H,299,361)(H,300,382)(H,301,362)(H,302,391)(H,303,395)(H,304,385)(H,305,386)(H,306,396)(H,307,368)(H,308,363)(H,309,373)(H,310,387)(H,311,392)(H,312,393)(H,313,338)(H,314,353)(H,315,380)(H,316,379)(H,317,394)(H,318,384)(H,319,381)(H,320,388)(H,321,364)(H,342,343)(H,344,345)(H,346,347)(H,348,349)(H,350,351)(H,397,398)(H,399,400)(H4,266,267,270)

InChIKey

WEDIKSVWBUKTRA-UHFFFAOYSA-N

LogP

-20.403830000000333

Topological Polar Surface Area

2345.1600000000008 Å²

Hydrogen Bond Donor/Acceptor

90 / 144

Complexity

14600

Synonyms & References

English

116094-23-6
Insulin (human),28B-L-aspartic acid-
[AspB28]-human insulin
AspB28-insulin (human)
B28-Asp-insulin
INA-X 14
Insulin aspart
Insulin X 14
Insulin(ox), 8A-L-threonine-10A-L-isoleucine-28B-L-aspartic acid-30B-L-threonine-
NovoLog
NovoLog Mix 70
NovoMix 30
Novomix 50
Novorapid
NovoRapid30 Mix
D04475
Novolog (tn)
Insulin aspart (genetical recombination)
Insulin aspart (genetical recombination) (jan)
Insulin Aspart EP
USP

FAQ

What are the physical and chemical properties of the compound with CAS number 116094-23-6?

The compound with CAS number 116094-23-6 is a complex cyclic peptide. It typically exists in a crystalline form. The molecular weight is approximately 2850 Da. This peptide is poorly water-soluble and requires specific solvents for dissolution. Reactivity studies show that it is stable under neutral and slightly acidic conditions, but may degrade under harsh conditions. It is not reactive with common reagents such as acids, bases, or oxidizing agents, but caution is advised with reducing agents due to the presence of sulfur-containing amino acids.

How is the compound with CAS number 116094-23-6 typically synthesized?

The compound with CAS number 116094-23-6 is synthesized using solid-phase peptide synthesis (SPPS) techniques. Commonly, the Fmoc (fluorenylmethoxy carbonyl) strategy is employed. Key steps include the stepwise addition of amino acids, activation with coupling reagents, and deprotection of the Fmoc group. The synthesis is optimized to achieve high yields and selectivity, with careful control of pH and temperature. The final product is purified using HPLC (high-performance liquid chromatography) for high purity.

What industries use the compound with CAS number 116094-23-6?

The compound with CAS number 116094-23-6 is primarily used in pharmaceutical and biotechnology industries for its potential as a peptide-based drug or therapeutic agent. It may also have applications in the polymer industry for developing new materials with specific properties. Additionally, it could be used in the semiconductor and sensor industries for its unique structure and potential functionalities.

What precautions should be taken when handling the compound with CAS number 116094-23-6?

Handling the compound with CAS number 116094-23-6 should be done with appropriate personal protective equipment (PPE), including gloves and safety goggles. Work should be conducted in a well-ventilated area or in a fume hood to minimize inhalation risks. Spills should be immediately cleaned up using appropriate absorbents and following standard safety protocols. The Material Safety Data Sheet (MSDS) should be consulted for detailed safety information and emergency procedures. This compound is not highly toxic, but caution is advised due to its complex structure and potential irritant properties.