[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] (2S)-2-[(4-bromophenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] (2S)-2-[(4-bromophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] (2S)-2-[(4-bromobenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-bromophenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] (2S)-2-[(4-bromobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-bromobenzoyl)amino]-3-methyl-butyric acid [2-keto-2-(propargylamino)ethyl] ester Formula: C17H19BrN2O4 MolecularWeight: 395.24776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NCC#C)NC(=O)C1=CC=C(C=C1)Br

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)NCC#C)NC(=O)C1=CC=C(C=C1)Br

InChI

InChI=1S/C17H19BrN2O4/c1-4-9-19-14(21)10-24-17(23)15(11(2)3)20-16(22)12-5-7-13(18)8-6-12/h1,5-8,11,15H,9-10H2,2-3H3,(H,19,21)(H,20,22)/t15-/m0/s1