[(2S)-2-[2-[[(2S)-5-[[azanyl(nitramido)methylidene]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]ethanoylamino]-3-[1-[3-[(2S)-3-methoxy-3-oxidanylidene-2-(phenylmethoxycarbonylamino)propyl]-1-[(4-methoxyphenyl)methyl]indol-2-yl]imidazol-4-yl]propyl] 2,2-dimethylpropanoate

Systemtic Name: [(2S)-2-[2-[[(2S)-5-[[azanyl(nitramido)methylidene]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]ethanoylamino]-3-[1-[3-[(2S)-3-methoxy-3-oxidanylidene-2-(phenylmethoxycarbonylamino)propyl]-1-[(4-methoxyphenyl)methyl]indol-2-yl]imidazol-4-yl]propyl] 2,2-dimethylpropanoate Openeye Name: [(2S)-2-[[2-[[(2S)-5-[[amino(nitramido)methylene]amino]-2-(tert-butoxycarbonylamino)pentanoyl]amino]acetyl]amino]-3-[1-[3-[(2S)-2-(benzyloxycarbonylamino)-3-methoxy-3-oxo-propyl]-1-[(4-methoxyphenyl)methyl]indol-2-yl]imidazol-4-yl]propyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [(2S)-2-[[2-[[(2S)-5-[[amino(nitramido)methylidene]amino]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopentyl]amino]-1-oxoethyl]amino]-3-[1-[3-[(2S)-3-methoxy-3-oxo-2-(phenylmethoxycarbonylamino)propyl]-1-[(4-methoxyphenyl)methyl]-2-indolyl]-4-imidazolyl]propyl] ester IUPAC Name: [(2S)-2-[[2-[[(2S)-5-[[amino(nitramido)methylidene]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]acetyl]amino]-3-[1-[3-[(2S)-3-methoxy-3-oxo-2-(phenylmethoxycarbonylamino)propyl]-1-[(4-methoxyphenyl)methyl]indol-2-yl]imidazol-4-yl]propyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [(2S)-2-[[2-[[(2S)-5-[[amino(nitramido)methylene]amino]-2-(tert-butoxycarbonylamino)pentanoyl]amino]acetyl]amino]-3-[1-[3-[(2S)-2-(benzyloxycarbonylamino)-3-keto-3-methoxy-propyl]-1-p-anisyl-indol-2-yl]imidazol-4-yl]propyl] ester Formula: C52H67N11O13 MolecularWeight: 1054.15428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCC(CC1=CN(C=N1)C2=C(C3=CC=CC=C3N2CC4=CC=C(C=C4)OC)CC(C(=O)OC)NC(=O)OCC5=CC=CC=C5)NC(=O)CNC(=O)C(CCCN=C(N)N[N+](=O)[O-])NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)C(=O)OC[C@H](CC1=CN(C=N1)C2=C(C3=CC=CC=C3N2CC4=CC=C(C=C4)OC)C[C@@H](C(=O)OC)NC(=O)OCC5=CC=CC=C5)NC(=O)CNC(=O)[C@H](CCCN=C(N)N[N+](=O)[O-])NC(=O)OC(C)(C)C

InChI

InChI=1S/C52H67N11O13/c1-51(2,3)47(67)74-31-36(57-43(64)27-55-44(65)40(58-50(69)76-52(4,5)6)18-14-24-54-48(53)60-63(70)71)25-35-29-61(32-56-35)45-39(26-41(46(66)73-8)59-49(68)75-30-34-15-10-9-11-16-34)38-17-12-13-19-42(38)62(45)28-33-20-22-37(72-7)23-21-33/h9-13,15-17,19-23,29,32,36,40-41H,14,18,24-28,30-31H2,1-8H3,(H,55,65)(H,57,64)(H,58,69)(H,59,68)(H3,53,54,60)/t36-,40-,41-/m0/s1