Adkskdwvkklmqqlpvtar

Structural Information

Molecular Formula

C₁₀₄H₁₇₆N₃₀O₂₉S

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)N)O

InChI

InChI=1S/C104H176N30O29S/c1-52(2)45-70(93(152)122-68(37-44-164-12)92(151)121-66(33-35-77(110)137)90(149)120-67(34-36-78(111)138)91(150)129-74(46-53(3)4)102(161)134-43-24-32-76(134)98(157)132-82(55(7)8)100(159)133-83(58(11)136)101(160)116-57(10)85(144)124-69(103(162)163)31-23-42-114-104(112)113)126-87(146)62(27-15-19-38-105)117-86(145)65(30-18-22-41-108)123-99(158)81(54(5)6)131-96(155)71(47-59-50-115-61-26-14-13-25-60(59)61)127-95(154)73(49-80(141)142)128-88(147)63(28-16-20-39-106)119-97(156)75(51-135)130-89(148)64(29-17-21-40-107)118-94(153)72(48-79(139)140)125-84(143)56(9)109/h13-14,25-26,50,52-58,62-76,81-83,115,135-136H,15-24,27-49,51,105-109H2,1-12H3,(H2,110,137)(H2,111,138)(H,116,160)(H,117,145)(H,118,153)(H,119,156)(H,120,149)(H,121,151)(H,122,152)(H,123,158)(H,124,144)(H,125,143)(H,126,146)(H,127,154)(H,128,147)(H,129,150)(H,130,148)(H,131,155)(H,132,157)(H,133,159)(H,139,140)(H,141,142)(H,162,163)(H4,112,113,114)/t56-,57-,58+,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,81-,82-,83-/m0/s1

InChIKey

ORGHKYLKVFUUDG-CVPGVSTPSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-carboxypropanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoic acid

Related CIDs

• CID 16130704