Cfpyitrpgtyhdwwyk

Structural Information

Molecular Formula

C₁₀₉H₁₄₁N₂₅O₂₅S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CC3=CN=CN3)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)N[C@@H](CC6=CNC7=CC=CC=C76)C(=O)N[C@@H](CC8=CC=C(C=C8)O)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CC9=CC=C(C=C9)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CS)N

InChI

InChI=1S/C109H141N25O25S/c1-5-58(2)90(131-100(150)80(46-64-32-38-70(139)39-33-64)127-102(152)87-27-17-43-134(87)107(157)85(129-93(143)73(111)56-160)47-61-18-7-6-8-19-61)103(153)132-92(60(4)136)105(155)120-76(25-15-41-115-109(112)113)106(156)133-42-16-26-86(133)101(151)118-55-88(140)130-91(59(3)135)104(154)128-79(45-63-30-36-69(138)37-31-63)95(145)125-83(50-67-54-114-57-119-67)98(148)126-84(51-89(141)142)99(149)124-82(49-66-53-117-75-23-12-10-21-72(66)75)97(147)123-81(48-65-52-116-74-22-11-9-20-71(65)74)96(146)122-78(44-62-28-34-68(137)35-29-62)94(144)121-77(108(158)159)24-13-14-40-110/h6-12,18-23,28-39,52-54,57-60,73,76-87,90-92,116-117,135-139,160H,5,13-17,24-27,40-51,55-56,110-111H2,1-4H3,(H,114,119)(H,118,151)(H,120,155)(H,121,144)(H,122,146)(H,123,147)(H,124,149)(H,125,145)(H,126,148)(H,127,152)(H,128,154)(H,129,143)(H,130,140)(H,131,150)(H,132,153)(H,141,142)(H,158,159)(H4,112,113,115)/t58-,59+,60+,73-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,90-,91-,92-/m0/s1

InChIKey

SRXFFCRKXJWQDW-FKFHWMLNSA-N

Compound name

(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[[(2S)-1-[(2S)-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-carboxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoic acid

Related CIDs

• CID 71597189