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

Systemtic Name: [2-[(2-azanyl-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl] (2S)-2-[(4-bromophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-[(2-amino-2-oxo-ethyl)amino]-2-oxo-ethyl] (2S)-2-[(4-bromobenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-bromophenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] (2S)-2-[(4-bromobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-bromobenzoyl)amino]-3-methyl-butyric acid [2-[(2-amino-2-keto-ethyl)amino]-2-keto-ethyl] ester Formula: C16H20BrN3O5 MolecularWeight: 414.2511

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20BrN3O5/c1-9(2)14(16(24)25-8-13(22)19-7-12(18)21)20-15(23)10-3-5-11(17)6-4-10/h3-6,9,14H,7-8H2,1-2H3,(H2,18,21)(H,19,22)(H,20,23)/t14-/m0/s1