(2R,4S)-2-[4-[[2-[[4-[[4-[2-[2,5-bis(oxidanylidene)pyrrol-1-yl]ethanoylamino]phenyl]diazenyl]phenyl]amino]-2-oxidanylidene-ethyl]amino]-4-oxidanylidene-butyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioic acid

Systemtic Name: (2R,4S)-2-[4-[[2-[[4-[[4-[2-[2,5-bis(oxidanylidene)pyrrol-1-yl]ethanoylamino]phenyl]diazenyl]phenyl]amino]-2-oxidanylidene-ethyl]amino]-4-oxidanylidene-butyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioic acid Openeye Name: (2S,4R)-2-(tert-butoxycarbonylamino)-4-[4-[[2-[4-[4-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]phenyl]azoanilino]-2-oxo-ethyl]amino]-4-oxo-butyl]pentanedioic acid CAS Name: (2R,4S)-2-[4-[[2-[4-[4-[[2-(2,5-dioxo-1-pyrrolyl)-1-oxoethyl]amino]phenyl]azoanilino]-2-oxoethyl]amino]-4-oxobutyl]-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentanedioic acid IUPAC Name: (2R,4S)-2-[4-[[2-[4-[[4-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]phenyl]diazenyl]anilino]-2-oxoethyl]amino]-4-oxobutyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioic acid Traditional Name: (2S,4R)-2-(tert-butoxycarbonylamino)-4-[4-keto-4-[[2-keto-2-[4-[4-[(2-maleimidoacetyl)amino]phenyl]azoanilino]ethyl]amino]butyl]glutaric acid Formula: C34H39N7O11 MolecularWeight: 721.71376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC(CCCC(=O)NCC(=O)NC1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC(=O)CN3C(=O)C=CC3=O)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](C[C@@H](CCCC(=O)NCC(=O)NC1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC(=O)CN3C(=O)C=CC3=O)C(=O)O)C(=O)O

InChI

InChI=1S/C34H39N7O11/c1-34(2,3)52-33(51)38-25(32(49)50)17-20(31(47)48)5-4-6-26(42)35-18-27(43)36-21-7-11-23(12-8-21)39-40-24-13-9-22(10-14-24)37-28(44)19-41-29(45)15-16-30(41)46/h7-16,20,25H,4-6,17-19H2,1-3H3,(H,35,42)(H,36,43)(H,37,44)(H,38,51)(H,47,48)(H,49,50)/t20-,25+/m1/s1