tert-butyl (3S)-4-[(2-ethoxy-2-oxidanylidene-ethyl)-(phenylmethyl)amino]-3-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoate

Systemtic Name: tert-butyl (3S)-4-[(2-ethoxy-2-oxidanylidene-ethyl)-(phenylmethyl)amino]-3-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoate Openeye Name: tert-butyl (3S)-4-[benzyl-(2-ethoxy-2-oxo-ethyl)amino]-3-(2-naphthylsulfonylamino)-4-oxo-butanoate CAS Name: (3S)-4-[(2-ethoxy-2-oxoethyl)-(phenylmethyl)amino]-3-(2-naphthalenylsulfonylamino)-4-oxobutanoic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-4-[benzyl-(2-ethoxy-2-oxoethyl)amino]-3-(naphthalen-2-ylsulfonylamino)-4-oxobutanoate Traditional Name: (3S)-4-[benzyl-(2-ethoxy-2-keto-ethyl)amino]-4-keto-3-(2-naphthylsulfonylamino)butyric acid tert-butyl ester Formula: C29H34N2O7S MolecularWeight: 554.65446

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(CC1=CC=CC=C1)C(=O)C(CC(=O)OC(C)(C)C)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CCOC(=O)CN(CC1=CC=CC=C1)C(=O)[C@H](CC(=O)OC(C)(C)C)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C29H34N2O7S/c1-5-37-27(33)20-31(19-21-11-7-6-8-12-21)28(34)25(18-26(32)38-29(2,3)4)30-39(35,36)24-16-15-22-13-9-10-14-23(22)17-24/h6-17,25,30H,5,18-20H2,1-4H3/t25-/m0/s1