(2-oxidanylidene-2-phenylazanyl-ethyl) (2S)-2-[(2-bromophenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) (2S)-2-[(2-bromophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (2-anilino-2-oxo-ethyl) (2S)-2-[(2-bromobenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2-bromophenyl)-oxomethyl]amino]-3-methylbutanoic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) (2S)-2-[(2-bromobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(2-bromobenzoyl)amino]-3-methyl-butyric acid (2-anilino-2-keto-ethyl) ester Formula: C20H21BrN2O4 MolecularWeight: 433.29574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC1=CC=CC=C1)NC(=O)C2=CC=CC=C2Br

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)NC1=CC=CC=C1)NC(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C20H21BrN2O4/c1-13(2)18(23-19(25)15-10-6-7-11-16(15)21)20(26)27-12-17(24)22-14-8-4-3-5-9-14/h3-11,13,18H,12H2,1-2H3,(H,22,24)(H,23,25)/t18-/m0/s1