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

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] (2S)-2-[(4-bromophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-(butylamino)-2-oxo-ethyl] (2S)-2-[(4-bromobenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-bromophenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-2-oxoethyl] (2S)-2-[(4-bromobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-bromobenzoyl)amino]-3-methyl-butyric acid [2-(butylamino)-2-keto-ethyl] ester Formula: C18H25BrN2O4 MolecularWeight: 413.3061

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)COC(=O)C(C(C)C)NC(=O)C1=CC=C(C=C1)Br

Isomeric SMILES

CCCCNC(=O)COC(=O)[C@H](C(C)C)NC(=O)C1=CC=C(C=C1)Br

InChI

InChI=1S/C18H25BrN2O4/c1-4-5-10-20-15(22)11-25-18(24)16(12(2)3)21-17(23)13-6-8-14(19)9-7-13/h6-9,12,16H,4-5,10-11H2,1-3H3,(H,20,22)(H,21,23)/t16-/m0/s1