PARDAXIN MOSES SOLE

Basic Information

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CAS Number

134940-98-0

Molecular Formula

C154H248N36O45

Molecular Weight

3323.83 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

Boiling Point

2811.0±65.0 °C(Predicted)

Density

1.279±0.06 g/cm3(Predicted)

SMILES

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CCC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(C)C)[C@@H](C)O

InChI

InChI=1S/C154H248N36O45/c1-23-84(16)122(186-150(230)123(85(17)24-2)185-131(211)95(48-36-38-56-156)169-146(226)114-50-40-58-190(114)153(233)124(86(18)25-3)187-140(220)102(63-82(12)13)172-126(206)87(19)162-133(213)104(65-92-43-31-27-32-44-92)174-138(218)103(166-116(200)67-157)64-91-41-29-26-30-42-91)149(229)182-111(76-196)145(225)183-112(77-197)152(232)189-57-39-49-113(189)147(227)176-100(61-80(8)9)134(214)175-105(66-93-45-33-28-34-46-93)139(219)168-94(47-35-37-55-155)132(212)188-125(90(22)198)151(231)177-101(62-81(10)11)135(215)173-99(60-79(6)7)137(217)179-108(73-193)142(222)164-89(21)128(208)184-121(83(14)15)148(228)161-70-119(203)167-107(72-192)141(221)163-88(20)127(207)171-98(59-78(4)5)136(216)180-109(74-194)144(224)181-110(75-195)143(223)178-106(71-191)129(209)160-68-117(201)159-69-118(202)165-96(51-53-115(158)199)130(210)170-97(154(234)235)52-54-120(204)205/h26-34,41-46,78-90,94-114,121-125,191-198H,23-25,35-40,47-77,155-157H2,1-22H3,(H2,158,199)(H,159,201)(H,160,209)(H,161,228)(H,162,213)(H,163,221)(H,164,222)(H,165,202)(H,166,200)(H,167,203)(H,168,219)(H,169,226)(H,170,210)(H,171,207)(H,172,206)(H,173,215)(H,174,218)(H,175,214)(H,176,227)(H,177,231)(H,178,223)(H,179,217)(H,180,216)(H,181,224)(H,182,229)(H,183,225)(H,184,208)(H,185,211)(H,186,230)(H,187,220)(H,188,212)(H,204,205)(H,234,235)/t84?,85-,86-,87-,88-,89-,90+,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,121-,122-,123-,124-,125-/m0/s1

InChIKey

CTVQQQPWNOVEAG-LUSKSUKQSA-N

LogP

-13.022300000000081

Topological Polar Surface Area

1271.2099999999998 Å²

Hydrogen Bond Donor/Acceptor

48 / 81

Synonyms & References

English

[GLY31]-PARDAXIN P1
[Gly31]-PardaxinP1, Gly-Phe-Phe-Ala-Leu-Ile-Pro-Lys-Ile-Ile-Ser-Ser-Pro-Leu-Phe-Lys-Thr-Leu-Leu-Ser-Ala-Val-Gly-Ser-Ala-Leu-Ser-Ser-Ser-Gly-Gly-Gln-Glu
PARDAXIN
PARDAXIN MOSES SOLE
PARDAXIN, PARDACHIRUS MARMORATUS
Gly-Phe-Phe-Ala-Leu-Ile-Pro-Lys-Ile-Ile-Ser-Ser-Pro-Leu-Phe-Lys-Thr-Leu-Leu-Ser-Ala-Val-Gly-Ser-Ala-Leu-Ser-Ser-Ser-Gly-Gly-Gln-Glu
Pardaxin (ge33)
L-Glutamic acid, glycyl-L-phenylalanyl-L-phenylalanyl-L-alanyl-L-leucyl-L-isoleucyl-L-prolyl-L-lysyl-L-isoleucyl-L-isoleucyl-L-seryl-L-seryl-L-prolyl-L-leucyl-L-phenylalanyl-L-lysyl-L-threonyl-L-leucyl-L-leucyl-L-seryl-L-alanyl-L-valylglycyl-L-seryl-L-alanyl-L-leucyl-L-seryl-L-seryl-L-serylglycylgly...
pardaxin