[(2R)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] (2S)-2-[(4-bromophenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [(2R)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] (2S)-2-[(4-bromophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [(1R)-2-(allylamino)-1-methyl-2-oxo-ethyl] (2S)-2-[(4-bromobenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-bromophenyl)-oxomethyl]amino]-3-methylbutanoic acid [(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] (2S)-2-[(4-bromobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-bromobenzoyl)amino]-3-methyl-butyric acid [(1R)-2-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H23BrN2O4 MolecularWeight: 411.29022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C)C(=O)NCC=C)NC(=O)C1=CC=C(C=C1)Br

Isomeric SMILES

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

InChI

InChI=1S/C18H23BrN2O4/c1-5-10-20-16(22)12(4)25-18(24)15(11(2)3)21-17(23)13-6-8-14(19)9-7-13/h5-9,11-12,15H,1,10H2,2-4H3,(H,20,22)(H,21,23)/t12-,15+/m1/s1