[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-[(4-bromophenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-[(4-bromophenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-(4-butylanilino)-2-oxo-ethyl] (2S)-2-[(4-bromobenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(4-bromophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [2-(4-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-butylanilino)-2-oxoethyl] (2S)-2-[(4-bromobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(4-bromobenzoyl)amino]-4-(methylthio)butyric acid [2-(4-butylanilino)-2-keto-ethyl] ester Formula: C24H29BrN2O4S MolecularWeight: 521.46706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)C(CCSC)NC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)[C@H](CCSC)NC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C24H29BrN2O4S/c1-3-4-5-17-6-12-20(13-7-17)26-22(28)16-31-24(30)21(14-15-32-2)27-23(29)18-8-10-19(25)11-9-18/h6-13,21H,3-5,14-16H2,1-2H3,(H,26,28)(H,27,29)/t21-/m0/s1