Schembl29774757

Structural Information

Molecular Formula

C₁₀₃H₁₆₈N₃₂O₂₀

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)N)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)CN

InChI

InChI=1S/C103H168N32O20/c1-11-59(6)87(102(155)125-69(63(10)136)29-16-21-39-104)135-90(143)62(9)121-88(141)61(8)122-93(146)77(37-38-83(110)137)123-86(140)55-118-92(145)78(45-57(2)3)131-101(154)82(49-66-53-113-56-119-66)134-96(149)73(33-18-23-41-106)126-89(142)60(7)120-85(139)54-117-91(144)72(32-17-22-40-105)127-95(148)76(36-26-44-114-103(111)112)130-98(151)79(46-58(4)5)132-100(153)81(48-65-52-116-71-31-15-13-28-68(65)71)133-97(150)75(35-20-25-43-108)128-94(147)74(34-19-24-42-107)129-99(152)80(124-84(138)50-109)47-64-51-115-70-30-14-12-27-67(64)70/h12-15,27-28,30-31,51-53,56-62,69,72-82,87,115-116H,11,16-26,29,32-50,54-55,104-109H2,1-10H3,(H2,110,137)(H,113,119)(H,117,144)(H,118,145)(H,120,139)(H,121,141)(H,122,146)(H,123,140)(H,124,138)(H,125,155)(H,126,142)(H,127,148)(H,128,147)(H,129,152)(H,130,151)(H,131,154)(H,132,153)(H,133,150)(H,134,149)(H,135,143)(H4,111,112,114)/t59-,60-,61-,62-,69-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,87-/m0/s1

InChIKey

JUHFVURFTBFOGF-UPKGFTDUSA-N

Compound name

(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]acetyl]amino]propanoyl]amino]hexanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-N-[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(3S)-7-amino-2-oxoheptan-3-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pentanediamide

Related CIDs

• CID 16131780