methyl 4-nitramido-4-oxidanylidene-2-[[2-(phenylmethoxycarbonylamino)-3-(triphenylmethyl)sulfanyl-propanoyl]amino]butanoate

Systemtic Name: methyl 4-nitramido-4-oxidanylidene-2-[[2-(phenylmethoxycarbonylamino)-3-(triphenylmethyl)sulfanyl-propanoyl]amino]butanoate Openeye Name: methyl 2-[[2-(benzyloxycarbonylamino)-3-tritylsulfanyl-propanoyl]amino]-4-nitramido-4-oxo-butanoate CAS Name: 4-nitramido-4-oxo-2-[[1-oxo-2-(phenylmethoxycarbonylamino)-3-[(triphenylmethyl)thio]propyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-nitramido-4-oxo-2-[[2-(phenylmethoxycarbonylamino)-3-tritylsulfanylpropanoyl]amino]butanoate Traditional Name: 2-[[2-(benzyloxycarbonylamino)-3-(tritylthio)propanoyl]amino]-4-keto-4-nitramido-butyric acid methyl ester Formula: C35H34N4O8S MolecularWeight: 670.73146

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC(=O)N[N+](=O)[O-])NC(=O)C(CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C(CC(=O)N[N+](=O)[O-])NC(=O)C(CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C35H34N4O8S/c1-46-33(42)29(22-31(40)38-39(44)45)36-32(41)30(37-34(43)47-23-25-14-6-2-7-15-25)24-48-35(26-16-8-3-9-17-26,27-18-10-4-11-19-27)28-20-12-5-13-21-28/h2-21,29-30H,22-24H2,1H3,(H,36,41)(H,37,43)(H,38,40)