Cwvrlvryllrrlktpft

Structural Information

Molecular Formula

C₁₀₉H₁₇₈N₃₂O₂₂S

SMILES

C[C@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H](CS)N)O

InChI

InChI=1S/C109H178N32O22S/c1-56(2)47-76(94(151)126-71(31-20-21-41-110)93(150)139-86(62(13)142)104(161)141-46-26-36-83(141)101(158)136-81(51-64-27-16-15-17-28-64)99(156)140-87(63(14)143)105(162)163)131-90(147)73(33-23-43-121-107(114)115)125-89(146)72(32-22-42-120-106(112)113)127-95(152)77(48-57(3)4)133-96(153)78(49-58(5)6)134-97(154)80(52-65-37-39-67(144)40-38-65)135-92(149)75(35-25-45-123-109(118)119)129-102(159)84(60(9)10)137-98(155)79(50-59(7)8)132-91(148)74(34-24-44-122-108(116)117)128-103(160)85(61(11)12)138-100(157)82(130-88(145)69(111)55-164)53-66-54-124-70-30-19-18-29-68(66)70/h15-19,27-30,37-40,54,56-63,69,71-87,124,142-144,164H,20-26,31-36,41-53,55,110-111H2,1-14H3,(H,125,146)(H,126,151)(H,127,152)(H,128,160)(H,129,159)(H,130,145)(H,131,147)(H,132,148)(H,133,153)(H,134,154)(H,135,149)(H,136,158)(H,137,155)(H,138,157)(H,139,150)(H,140,156)(H,162,163)(H4,112,113,120)(H4,114,115,121)(H4,116,117,122)(H4,118,119,123)/t62-,63-,69+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+,82+,83+,84+,85+,86+,87+/m1/s1

InChIKey

MCCJSTCGUMMGQF-BQXUREMZSA-N

Compound name

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

Related CIDs

• CID 71596589