F-k-l-p-i-q-k-e-t-w-e-t-w-w-t-e-y-w-q-a-t-w-y-p-e-w-e-f-v

Structural Information

Molecular Formula

C₁₉₇H₂₅₆N₄₀O₄₇S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](CC5=CNC6=CC=CC=C65)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC7=CC=C(C=C7)O)C(=O)N[C@@H](CC8=CNC9=CC=CC=C98)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](C(C)C)C(=O)NCCS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC1=CC=CC=C1)N

InChI

InChI=1S/C197H256N40O47S/c1-12-104(6)164(231-189(276)155-56-36-83-237(155)196(283)152(85-102(2)3)228-173(260)135(53-31-33-79-198)211-170(257)128(200)86-110-37-15-13-16-38-110)191(278)218-138(66-73-157(202)245)174(261)212-136(54-32-34-80-199)172(259)213-142(70-77-161(252)253)178(265)233-167(108(10)240)194(281)225-148(92-116-98-206-131-49-27-21-43-124(116)131)183(270)216-143(71-78-162(254)255)179(266)234-168(109(11)241)195(282)226-149(93-117-99-207-132-50-28-22-44-125(117)132)184(271)224-151(95-119-101-209-134-52-30-24-46-127(119)134)187(274)235-166(107(9)239)192(279)219-141(69-76-160(250)251)177(264)220-144(88-112-57-61-120(242)62-58-112)180(267)223-147(91-115-97-205-130-48-26-20-42-123(115)130)182(269)214-137(65-72-156(201)244)171(258)210-105(7)169(256)232-165(106(8)238)193(280)227-150(94-118-100-208-133-51-29-23-45-126(118)133)185(272)229-153(89-113-59-63-121(243)64-60-113)197(284)236-82-35-55-154(236)188(275)217-140(68-75-159(248)249)176(263)222-146(90-114-96-204-129-47-25-19-41-122(114)129)181(268)215-139(67-74-158(246)247)175(262)221-145(87-111-39-17-14-18-40-111)186(273)230-163(103(4)5)190(277)203-81-84-285/h13-30,37-52,57-64,96-109,128,135-155,163-168,204-209,238-243,285H,12,31-36,53-56,65-95,198-200H2,1-11H3,(H2,201,244)(H2,202,245)(H,203,277)(H,210,258)(H,211,257)(H,212,261)(H,213,259)(H,214,269)(H,215,268)(H,216,270)(H,217,275)(H,218,278)(H,219,279)(H,220,264)(H,221,262)(H,222,263)(H,223,267)(H,224,271)(H,225,281)(H,226,282)(H,227,280)(H,228,260)(H,229,272)(H,230,273)(H,231,276)(H,232,256)(H,233,265)(H,234,266)(H,235,274)(H,246,247)(H,248,249)(H,250,251)(H,252,253)(H,254,255)/t104-,105-,106+,107+,108+,109+,128-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,163-,164-,165-,166-,167-,168-/m0/s1

InChIKey

QAAUZDOYEOLXJA-SJLURCKCSA-N

Compound name

(4S)-4-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-oxopentanoyl]amino]propanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-5-[[(2S)-1-[[(2S)-4-carboxy-1-[[(2S)-1-[[(2S)-3-methyl-1-oxo-1-(2-sulfanylethylamino)butan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16130580