ethyl 4-azanyl-4-oxidanylidene-2-[[2-(phenylmethoxycarbonylamino)-3-(triphenylmethyl)sulfanyl-propanoyl]amino]butanoate

Systemtic Name: ethyl 4-azanyl-4-oxidanylidene-2-[[2-(phenylmethoxycarbonylamino)-3-(triphenylmethyl)sulfanyl-propanoyl]amino]butanoate Openeye Name: ethyl 4-amino-2-[[2-(benzyloxycarbonylamino)-3-tritylsulfanyl-propanoyl]amino]-4-oxo-butanoate CAS Name: 4-amino-4-oxo-2-[[1-oxo-2-(phenylmethoxycarbonylamino)-3-[(triphenylmethyl)thio]propyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-amino-4-oxo-2-[[2-(phenylmethoxycarbonylamino)-3-tritylsulfanylpropanoyl]amino]butanoate Traditional Name: 4-amino-2-[[2-(benzyloxycarbonylamino)-3-(tritylthio)propanoyl]amino]-4-keto-butyric acid ethyl ester Formula: C36H37N3O6S MolecularWeight: 639.76048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C(CC(=O)N)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/C36H37N3O6S/c1-2-44-34(42)30(23-32(37)40)38-33(41)31(39-35(43)45-24-26-15-7-3-8-16-26)25-46-36(27-17-9-4-10-18-27,28-19-11-5-12-20-28)29-21-13-6-14-22-29/h3-22,30-31H,2,23-25H2,1H3,(H2,37,40)(H,38,41)(H,39,43)