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

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-ethyl] (2S)-2-[(4-bromophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-(cyclopropylamino)-2-oxo-ethyl] (2S)-2-[(4-bromobenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-bromophenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-(cyclopropylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxoethyl] (2S)-2-[(4-bromobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-bromobenzoyl)amino]-3-methyl-butyric acid [2-(cyclopropylamino)-2-keto-ethyl] ester Formula: C17H21BrN2O4 MolecularWeight: 397.26364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC1CC1)NC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)NC1CC1)NC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C17H21BrN2O4/c1-10(2)15(17(23)24-9-14(21)19-13-7-8-13)20-16(22)11-3-5-12(18)6-4-11/h3-6,10,13,15H,7-9H2,1-2H3,(H,19,21)(H,20,22)/t15-/m0/s1