811418-15-2

Structural Information

Molecular Formula

C₁₀₉H₁₅₅N₂₅O₂₉S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC6=CNC7=CC=CC=C76)NC(=O)[C@H](CO)N

InChI

InChI=1S/C109H155N25O29S/c1-11-57(9)89(134-102(156)81(47-87(143)144)125-92(146)70(34-24-38-114-109(112)113)118-94(148)73(39-54(3)4)122-97(151)76(121-91(145)66(111)51-135)42-60-48-115-67-30-19-16-27-63(60)67)106(160)129-77(43-61-49-116-68-31-20-17-28-64(61)68)98(152)126-79(45-85(139)140)100(154)124-78(44-62-50-117-69-32-21-18-29-65(62)69)101(155)133-90(58(10)12-2)107(161)131-83(53-164)104(158)119-71(35-36-84(137)138)93(147)132-88(56(7)8)105(159)128-74(40-55(5)6)95(149)130-82(52-136)103(157)127-80(46-86(141)142)99(153)123-75(41-59-25-14-13-15-26-59)96(150)120-72(108(162)163)33-22-23-37-110/h13-21,25-32,48-50,54-58,66,70-83,88-90,115-117,135-136,164H,11-12,22-24,33-47,51-53,110-111H2,1-10H3,(H,118,148)(H,119,158)(H,120,150)(H,121,145)(H,122,151)(H,123,153)(H,124,154)(H,125,146)(H,126,152)(H,127,157)(H,128,159)(H,129,160)(H,130,149)(H,131,161)(H,132,147)(H,133,155)(H,134,156)(H,137,138)(H,139,140)(H,141,142)(H,143,144)(H,162,163)(H4,112,113,114)/t57-,58-,66-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,88-,89-,90-/m0/s1

InChIKey

NCVXFGXGZCHVMI-KSSKPRPLSA-N

Compound name

(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-carboxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]-4-carboxybutanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-phenylpropanoyl]amino]hexanoic acid

Related CIDs

• CID 71588316