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

Systemtic Name: [2-[(4-butan-2-ylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-[(2-bromophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-oxo-2-(4-sec-butylanilino)ethyl] (2S)-2-[(2-bromobenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2-bromophenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-(4-butan-2-ylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-butan-2-ylanilino)-2-oxoethyl] (2S)-2-[(2-bromobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(2-bromobenzoyl)amino]-3-methyl-butyric acid [2-keto-2-(4-sec-butylanilino)ethyl] ester Formula: C24H29BrN2O4 MolecularWeight: 489.40206

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)COC(=O)C(C(C)C)NC(=O)C2=CC=CC=C2Br

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=O)COC(=O)[C@H](C(C)C)NC(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C24H29BrN2O4/c1-5-16(4)17-10-12-18(13-11-17)26-21(28)14-31-24(30)22(15(2)3)27-23(29)19-8-6-7-9-20(19)25/h6-13,15-16,22H,5,14H2,1-4H3,(H,26,28)(H,27,29)/t16?,22-/m0/s1