(4S)-4-amino-5-[[(1S)-2-[[(1S)-1-[[(1S)-2-[[(1S)-2-[[(1S)-2-[[2-[[(1S)-2-[[(1S)-1-[[(1S)-1-[[(1S)-2-[[(1S)-2-[[(1S)-4-amino-1-[[(1S)-5-amino-1-[[(1S)-1-[[(1S)-1-[[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S)-1-[[(1S)-2-[[(1S)-1-[[2-[[(1S)-2-[[(1S)-3-amino-1-[[(1S)-5-amino-1-[[2-[[(1S)-2-[[(1S,2S)-1-[[(1S,2S)-1-[[2-[[(1S)-1-[[(1S)-1-[[(1S)-1-[[2-[[2-[[(1S)-1-[[(1S)-1-[[(1S,2S)-1-[[(1S)-1-carboxyethyl]carbamoyl]-2-methyl-butyl]carbamoyl]-2-methyl-propyl]carbamoyl]-2-methyl-propyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]carbamoyl]-3-methylsulfanyl-propyl]carbamoyl]-3-methyl-butyl]amino]-2-oxo-ethyl]carbamoyl]-2-methyl-butyl]carbamoyl]-2-methyl-butyl]amino]-1-methyl-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]pentyl]carbamoyl]-3-oxo-propyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]amino]-1-(carboxymethyl)-2-oxo-ethyl]carbamoyl]-3-carboxy-propyl]amino]-1-methyl-2-oxo-ethyl]amino]-1-benzyl-2-oxo-ethyl]amino]-1-benzyl-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]carbamoyl]-3-methyl-butyl]carbamoyl]pentyl]carbamoyl]-4-oxo-butyl]amino]-1-(1H-imidazol-4-ylmethyl)-2-oxo-ethyl]amino]-1-(1H-imidazol-4-ylmethyl)-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]carbamoyl]-3-carboxy-propyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-1-(carboxymethyl)-2-oxo-ethyl]amino]-1-(1H-imidazol-4-ylmethyl)-2-oxo-ethyl]carbamoyl]-4-guanidino-butyl]amino]-1-benzyl-2-oxo-ethyl]amino]-5-oxo-pentanoic acid | CAS No. 157884-74-7

(4S)-4-amino-5-[[(1S)-2-[[(1S)-1-[[(1S)-2-[[(1S)-2-[[(1S)-2-[[2-[[(1S)-2-[[(1S)-1-[[(1S)-1-[[(1S)-2-[[(1S)-2-[[(1S)-4-amino-1-[[(1S)-5-amino-1-[[(1S)-1-[[(1S)-1-[[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S)-1-[[(1S)-2-[[(1S)-1-[[2-[[(1S)-2-[[(1S)-3-amino-1-[[(1S)-5-amino-1-[[2-[[(1S)-2-[[(1S,2S)-1-[[(1S,2S)-1-[[2-[[(1S)-1-[[(1S)-1-[[(1S)-1-[[2-[[2-[[(1S)-1-[[(1S)-1-[[(1S,2S)-1-[[(1S)-1-carboxyethyl]carbamoyl]-2-methyl-butyl]carbamoyl]-2-methyl-propyl]carbamoyl]-2-methyl-propyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]carbamoyl]-3-methylsulfanyl-propyl]carbamoyl]-3-methyl-butyl]amino]-2-oxo-ethyl]carbamoyl]-2-methyl-butyl]carbamoyl]-2-methyl-butyl]amino]-1-methyl-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]pentyl]carbamoyl]-3-oxo-propyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]amino]-1-(carboxymethyl)-2-oxo-ethyl]carbamoyl]-3-carboxy-propyl]amino]-1-methyl-2-oxo-ethyl]amino]-1-benzyl-2-oxo-ethyl]amino]-1-benzyl-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]carbamoyl]-3-methyl-butyl]carbamoyl]pentyl]carbamoyl]-4-oxo-butyl]amino]-1-(1H-imidazol-4-ylmethyl)-2-oxo-ethyl]amino]-1-(1H-imidazol-4-ylmethyl)-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]carbamoyl]-3-carboxy-propyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-1-(carboxymethyl)-2-oxo-ethyl]amino]-1-(1H-imidazol-4-ylmethyl)-2-oxo-ethyl]carbamoyl]-4-guanidino-butyl]amino]-1-benzyl-2-oxo-ethyl]amino]-5-oxo-pentanoic acid

Basic Information

CAS Number

157884-74-7

Molecular Formula

C196H301N53O56S

Molecular Weight

0 g/mol

AD

Basic Physical Properties

CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](Cc3c[nH]cn3)NC(=O)[C@H](Cc4c[nH]cn4)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc5ccc(cc5)O)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc6c[nH]cn6)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc7ccccc7)NC(=O)[C@H](CCC(=O)O)N

InChI

InChI=1S/C196H301N53O56S/c1-27-104(20)159(188(297)213-89-145(258)220-126(70-96(4)5)174(283)229-125(65-69-306-26)172(281)242-153(98(8)9)186(295)211-85-142(255)208-86-147(260)241-155(100(12)13)191(300)246-158(103(18)19)192(301)249-160(105(21)28-2)193(302)219-109(25)195(304)305)248-194(303)161(106(22)29-3)247-163(272)107(23)217-143(256)87-209-165(274)119(50-39-41-66-197)224-181(290)135(79-141(201)254)235-185(294)139(92-251)222-146(259)90-212-187(296)154(99(10)11)243-184(293)137(81-152(269)270)236-170(279)123(59-63-149(263)264)223-162(271)108(24)218-173(282)129(72-110-44-33-30-34-45-110)232-177(286)131(74-112-48-37-32-38-49-112)238-189(298)157(102(16)17)245-183(292)127(71-97(6)7)231-167(276)120(51-40-42-67-198)225-169(278)122(58-61-140(200)253)227-178(287)132(76-114-82-204-93-214-114)234-180(289)134(78-116-84-206-95-216-116)239-190(299)156(101(14)15)244-171(280)124(60-64-150(265)266)228-175(284)128(75-113-53-55-117(252)56-54-113)221-144(257)88-210-166(275)138(91-250)240-182(291)136(80-151(267)268)237-179(288)133(77-115-83-205-94-215-115)233-168(277)121(52-43-68-207-196(202)203)226-176(285)130(73-111-46-35-31-36-47-111)230-164(273)118(199)57-62-148(261)262/h30-38,44-49,53-56,82-84,93-109,118-139,153-161,250-252H,27-29,39-43,50-52,57-81,85-92,197-199H2,1-26H3,(H2,200,253)(H2,201,254)(H,204,214)(H,205,215)(H,206,216)(H,208,255)(H,209,274)(H,210,275)(H,211,295)(H,212,296)(H,213,297)(H,217,256)(H,218,282)(H,219,302)(H,220,258)(H,221,257)(H,222,259)(H,223,271)(H,224,290)(H,225,278)(H,226,285)(H,227,287)(H,228,284)(H,229,283)(H,230,273)(H,231,276)(H,232,286)(H,233,277)(H,234,289)(H,235,294)(H,236,279)(H,237,288)(H,238,298)(H,239,299)(H,240,291)(H,241,260)(H,242,281)(H,243,293)(H,244,280)(H,245,292)(H,246,300)(H,247,272)(H,248,303)(H,249,301)(H,261,262)(H,263,264)(H,265,266)(H,267,268)(H,269,270)(H,304,305)(H4,202,203,207)/t104-,105-,106-,107-,108-,109-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,153-,154-,155-,156-,157-,158-,159-,160-,161-/m0/s1

InChIKey

KKTVQBBKTFSAGX-SUJODTBGSA-N

LogP

-14.16243000000032

Topological Polar Surface Area

1731.569999999999 Ų

Hydrogen Bond Donor/Acceptor

65 / 109

Synonyms & References

English

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