[2-[(4-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-[(2-bromophenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [2-[(4-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-[(2-bromophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-(4-carbamoylanilino)-2-oxo-ethyl] (2R)-2-[(2-bromobenzoyl)amino]-3-methyl-butanoate CAS Name: (2R)-2-[[(2-bromophenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-(4-carbamoylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-carbamoylanilino)-2-oxoethyl] (2R)-2-[(2-bromobenzoyl)amino]-3-methylbutanoate Traditional Name: (2R)-2-[(2-bromobenzoyl)amino]-3-methyl-butyric acid [2-(4-carbamoylanilino)-2-keto-ethyl] ester Formula: C21H22BrN3O5 MolecularWeight: 476.32048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC1=CC=C(C=C1)C(=O)N)NC(=O)C2=CC=CC=C2Br

Isomeric SMILES

CC(C)[C@H](C(=O)OCC(=O)NC1=CC=C(C=C1)C(=O)N)NC(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C21H22BrN3O5/c1-12(2)18(25-20(28)15-5-3-4-6-16(15)22)21(29)30-11-17(26)24-14-9-7-13(8-10-14)19(23)27/h3-10,12,18H,11H2,1-2H3,(H2,23,27)(H,24,26)(H,25,28)/t18-/m1/s1