Skpgvifltkrgrqvcadkskd

Structural Information

Molecular Formula

C₁₀₅H₁₈₁N₃₃O₃₁S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)N

InChI

InChI=1S/C105H181N33O31S/c1-11-56(8)82(136-99(164)80(54(4)5)134-77(144)49-119-97(162)74-34-25-43-138(74)102(167)67(31-18-22-40-109)127-85(150)60(110)50-139)100(165)130-69(45-59-26-13-12-14-27-59)92(157)129-68(44-53(2)3)94(159)137-83(58(10)141)101(166)126-65(30-17-21-39-108)88(153)122-61(32-23-41-116-104(112)113)86(151)118-48-76(143)121-62(33-24-42-117-105(114)115)87(152)125-66(35-36-75(111)142)91(156)135-81(55(6)7)98(163)133-73(52-170)96(161)120-57(9)84(149)128-70(46-78(145)146)93(158)123-64(29-16-20-38-107)90(155)132-72(51-140)95(160)124-63(28-15-19-37-106)89(154)131-71(103(168)169)47-79(147)148/h12-14,26-27,53-58,60-74,80-83,139-141,170H,11,15-25,28-52,106-110H2,1-10H3,(H2,111,142)(H,118,151)(H,119,162)(H,120,161)(H,121,143)(H,122,153)(H,123,158)(H,124,160)(H,125,152)(H,126,166)(H,127,150)(H,128,149)(H,129,157)(H,130,165)(H,131,154)(H,132,155)(H,133,163)(H,134,144)(H,135,156)(H,136,164)(H,137,159)(H,145,146)(H,147,148)(H,168,169)(H4,112,113,116)(H4,114,115,117)/t56-,57-,58+,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,80-,81-,82-,83-/m0/s1

InChIKey

QGPVRKKHLZVHJS-VZMATZKJSA-N

Compound name

(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoyl]amino]-3-methylbutanoyl]amino]-3-sulfanylpropanoyl]amino]propanoyl]amino]-3-carboxypropanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]butanedioic acid

Related CIDs

• CID 16130703