methyl (2S)-2-[3-[(4-bromophenyl)carbonylamino]propanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[3-[(4-bromophenyl)carbonylamino]propanoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[3-[(4-bromobenzoyl)amino]propanoylamino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[3-[[(4-bromophenyl)-oxomethyl]amino]-1-oxopropyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[3-[(4-bromobenzoyl)amino]propanoylamino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[3-[(4-bromobenzoyl)amino]propanoylamino]-4-(methylthio)butyric acid methyl ester Formula: C16H21BrN2O4S MolecularWeight: 417.31794

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)CCNC(=O)C1=CC=C(C=C1)Br

Isomeric SMILES

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

InChI

InChI=1S/C16H21BrN2O4S/c1-23-16(22)13(8-10-24-2)19-14(20)7-9-18-15(21)11-3-5-12(17)6-4-11/h3-6,13H,7-10H2,1-2H3,(H,18,21)(H,19,20)/t13-/m0/s1