Cwvrlgryllrrlktlft

Structural Information

Molecular Formula

C₁₀₇H₁₇₆N₃₂O₂₂S

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)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](CC2=CC=C(C=C2)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CS)N)O

InChI

InChI=1S/C107H176N32O22S/c1-55(2)44-75(130-92(149)74(34-25-43-121-107(116)117)128-101(158)84(60(11)12)137-100(157)82(129-87(144)68(109)54-162)51-65-52-122-69-29-19-18-28-67(65)69)88(145)123-53-83(143)124-70(31-22-40-118-104(110)111)89(146)134-80(50-64-35-37-66(142)38-36-64)98(155)133-78(47-58(7)8)96(153)132-77(46-57(5)6)95(152)127-72(32-23-41-119-105(112)113)90(147)125-73(33-24-42-120-106(114)115)91(148)131-76(45-56(3)4)94(151)126-71(30-20-21-39-108)93(150)138-85(61(13)140)102(159)136-79(48-59(9)10)97(154)135-81(49-63-26-16-15-17-27-63)99(156)139-86(62(14)141)103(160)161/h15-19,26-29,35-38,52,55-62,68,70-82,84-86,122,140-142,162H,20-25,30-34,39-51,53-54,108-109H2,1-14H3,(H,123,145)(H,124,143)(H,125,147)(H,126,151)(H,127,152)(H,128,158)(H,129,144)(H,130,149)(H,131,148)(H,132,153)(H,133,155)(H,134,146)(H,135,154)(H,136,159)(H,137,157)(H,138,150)(H,139,156)(H,160,161)(H4,110,111,118)(H4,112,113,119)(H4,114,115,120)(H4,116,117,121)/t61-,62-,68+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+,82+,84+,85+,86+/m1/s1

InChIKey

KRQWPAYRJZTFSE-GADMNXFZSA-N

Compound name

(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[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]acetyl]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]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoic acid

Related CIDs

• CID 71597843