Clgnqgsfltkgpsklndrac

Structural Information

Molecular Formula

C₉₂H₁₅₃N₂₉O₃₀S₂

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)N)O

InChI

InChI=1S/C92H153N29O30S2/c1-44(2)30-55(112-75(134)50(95)42-152)78(137)103-37-69(128)106-59(34-67(97)126)83(142)110-54(24-25-66(96)125)77(136)102-38-70(129)107-62(40-122)87(146)115-58(33-49-18-10-9-11-19-49)82(141)114-57(32-46(5)6)86(145)120-73(48(8)124)90(149)111-51(20-12-14-26-93)76(135)104-39-71(130)121-29-17-23-65(121)89(148)118-63(41-123)88(147)109-52(21-13-15-27-94)80(139)113-56(31-45(3)4)81(140)116-60(35-68(98)127)84(143)117-61(36-72(131)132)85(144)108-53(22-16-28-101-92(99)100)79(138)105-47(7)74(133)119-64(43-153)91(150)151/h9-11,18-19,44-48,50-65,73,122-124,152-153H,12-17,20-43,93-95H2,1-8H3,(H2,96,125)(H2,97,126)(H2,98,127)(H,102,136)(H,103,137)(H,104,135)(H,105,138)(H,106,128)(H,107,129)(H,108,144)(H,109,147)(H,110,142)(H,111,149)(H,112,134)(H,113,139)(H,114,141)(H,115,146)(H,116,140)(H,117,143)(H,118,148)(H,119,133)(H,120,145)(H,131,132)(H,150,151)(H4,99,100,101)/t47-,48+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,73-/m0/s1

InChIKey

XOZLTBFXPQDAGK-YQHLRAHYSA-N

Compound name

(3S)-3-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-4-amino-2-[[2-[[(2S)-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-4-[[(2S)-5-carbamimidamido-1-[[(2S)-1-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-4-oxobutanoic acid

Related CIDs

• CID 16197304