methyl 2-[[4-azanyl-4-oxidanylidene-3-(phenylmethoxycarbonylamino)butanoyl]amino]-3-(triphenylmethyl)sulfanyl-propanoate

Systemtic Name: methyl 2-[[4-azanyl-4-oxidanylidene-3-(phenylmethoxycarbonylamino)butanoyl]amino]-3-(triphenylmethyl)sulfanyl-propanoate Openeye Name: methyl 2-[[4-amino-3-(benzyloxycarbonylamino)-4-oxo-butanoyl]amino]-3-tritylsulfanyl-propanoate CAS Name: 2-[[4-amino-1,4-dioxo-3-(phenylmethoxycarbonylamino)butyl]amino]-3-[(triphenylmethyl)thio]propanoic acid methyl ester IUPAC Name: methyl 2-[[4-amino-4-oxo-3-(phenylmethoxycarbonylamino)butanoyl]amino]-3-tritylsulfanylpropanoate Traditional Name: 2-[[4-amino-3-(benzyloxycarbonylamino)-4-keto-butanoyl]amino]-3-(tritylthio)propionic acid methyl ester Formula: C35H35N3O6S MolecularWeight: 625.7339

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)CC(C(=O)N)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C(CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)CC(C(=O)N)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C35H35N3O6S/c1-43-33(41)30(37-31(39)22-29(32(36)40)38-34(42)44-23-25-14-6-2-7-15-25)24-45-35(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,(H2,36,40)(H,37,39)(H,38,42)