Cwvrlgryilrrlktpft

Structural Information

Molecular Formula

C₁₀₆H₁₇₂N₃₂O₂₂S

SMILES

CC[C@H](C)[C@@H](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](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)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](CC3=CC=C(C=C3)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](CC4=CNC5=CC=CC=C54)NC(=O)[C@H](CS)N

InChI

InChI=1S/C106H172N32O22S/c1-13-59(10)83(135-95(152)77(50-63-36-38-65(141)39-37-63)131-88(145)69(31-21-41-117-103(109)110)123-81(142)53-122-87(144)74(46-55(2)3)129-91(148)73(34-24-44-120-106(115)116)127-99(156)82(58(8)9)134-97(154)79(128-86(143)67(108)54-161)51-64-52-121-68-29-18-17-28-66(64)68)100(157)133-76(48-57(6)7)94(151)126-71(32-22-42-118-104(111)112)89(146)124-72(33-23-43-119-105(113)114)90(147)130-75(47-56(4)5)93(150)125-70(30-19-20-40-107)92(149)136-84(60(11)139)101(158)138-45-25-35-80(138)98(155)132-78(49-62-26-15-14-16-27-62)96(153)137-85(61(12)140)102(159)160/h14-18,26-29,36-39,52,55-61,67,69-80,82-85,121,139-141,161H,13,19-25,30-35,40-51,53-54,107-108H2,1-12H3,(H,122,144)(H,123,142)(H,124,146)(H,125,150)(H,126,151)(H,127,156)(H,128,143)(H,129,148)(H,130,147)(H,131,145)(H,132,155)(H,133,157)(H,134,154)(H,135,152)(H,136,149)(H,137,153)(H,159,160)(H4,109,110,117)(H4,111,112,118)(H4,113,114,119)(H4,115,116,120)/t59-,60+,61+,67-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,82-,83-,84-,85-/m0/s1

InChIKey

MBLCSRCKFZOLCU-BPWHAMBTSA-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,3S)-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]-3-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 71597751