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

Systemtic Name: [2-(aminocarbonylamino)-2-oxidanylidene-ethyl] (2S)-2-[(2-bromophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (2-oxo-2-ureido-ethyl) (2S)-2-[(2-bromobenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2-bromophenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-(carbamoylamino)-2-oxoethyl] ester IUPAC Name: [2-(carbamoylamino)-2-oxoethyl] (2S)-2-[(2-bromobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(2-bromobenzoyl)amino]-3-methyl-butyric acid (2-keto-2-ureido-ethyl) ester Formula: C15H18BrN3O5 MolecularWeight: 400.22452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC(=O)N)NC(=O)C1=CC=CC=C1Br

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)NC(=O)N)NC(=O)C1=CC=CC=C1Br

InChI

InChI=1S/C15H18BrN3O5/c1-8(2)12(14(22)24-7-11(20)18-15(17)23)19-13(21)9-5-3-4-6-10(9)16/h3-6,8,12H,7H2,1-2H3,(H,19,21)(H3,17,18,20,23)/t12-/m0/s1