Cwvrigryilrriktpft

Structural Information

Molecular Formula

C₁₀₆H₁₇₂N₃₂O₂₂S

SMILES

CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)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

InChI

InChI=1S/C106H172N32O22S/c1-13-57(8)81(133-90(147)73(36-26-46-120-106(115)116)126-98(155)80(56(6)7)132-95(152)77(128-86(143)67(108)54-161)51-64-52-121-68-31-20-19-30-66(64)68)97(154)122-53-79(142)123-69(33-23-43-117-103(109)110)87(144)129-75(50-63-38-40-65(141)41-39-63)93(150)135-83(59(10)15-3)100(157)131-74(48-55(4)5)92(149)125-71(34-24-44-118-104(111)112)88(145)124-72(35-25-45-119-105(113)114)89(146)134-82(58(9)14-2)99(156)127-70(32-21-22-42-107)91(148)136-84(60(11)139)101(158)138-47-27-37-78(138)96(153)130-76(49-62-28-17-16-18-29-62)94(151)137-85(61(12)140)102(159)160/h16-20,28-31,38-41,52,55-61,67,69-78,80-85,121,139-141,161H,13-15,21-27,32-37,42-51,53-54,107-108H2,1-12H3,(H,122,154)(H,123,142)(H,124,145)(H,125,149)(H,126,155)(H,127,156)(H,128,143)(H,129,144)(H,130,153)(H,131,157)(H,132,152)(H,133,147)(H,134,146)(H,135,150)(H,136,148)(H,137,151)(H,159,160)(H4,109,110,117)(H4,111,112,118)(H4,113,114,119)(H4,115,116,120)/t57-,58-,59-,60+,61+,67-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,80-,81-,82-,83-,84-,85-/m0/s1

InChIKey

ATDDKYDRUCNZNR-GVHHCRRTSA-N

Compound name

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

Related CIDs

• CID 71597752