tert-butyl (3S)-4-[2,2-diethoxyethyl(phenethyl)amino]-4-oxidanylidene-3-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: tert-butyl (3S)-4-[2,2-diethoxyethyl(phenethyl)amino]-4-oxidanylidene-3-(phenylmethoxycarbonylamino)butanoate Openeye Name: tert-butyl (3S)-3-(benzyloxycarbonylamino)-4-[2,2-diethoxyethyl(phenethyl)amino]-4-oxo-butanoate CAS Name: (3S)-4-[2,2-diethoxyethyl(phenethyl)amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-4-[2,2-diethoxyethyl(phenethyl)amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate Traditional Name: (3S)-3-(benzyloxycarbonylamino)-4-[2,2-diethoxyethyl(phenethyl)amino]-4-keto-butyric acid tert-butyl ester Formula: C30H42N2O7 MolecularWeight: 542.66368

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CN(CCC1=CC=CC=C1)C(=O)C(CC(=O)OC(C)(C)C)NC(=O)OCC2=CC=CC=C2)OCC

Isomeric SMILES

CCOC(CN(CCC1=CC=CC=C1)C(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)OCC2=CC=CC=C2)OCC

InChI

InChI=1S/C30H42N2O7/c1-6-36-27(37-7-2)21-32(19-18-23-14-10-8-11-15-23)28(34)25(20-26(33)39-30(3,4)5)31-29(35)38-22-24-16-12-9-13-17-24/h8-17,25,27H,6-7,18-22H2,1-5H3,(H,31,35)/t25-/m0/s1