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

Systemtic Name: methyl (2S)-2-[2-[(4-bromophenyl)carbonylamino]ethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[2-[(4-bromobenzoyl)amino]acetyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[2-[[(4-bromophenyl)-oxomethyl]amino]-1-oxoethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-[(4-bromobenzoyl)amino]acetyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[2-[(4-bromobenzoyl)amino]acetyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C15H19BrN2O4S MolecularWeight: 403.29136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19BrN2O4S/c1-22-15(21)12(7-8-23-2)18-13(19)9-17-14(20)10-3-5-11(16)6-4-10/h3-6,12H,7-9H2,1-2H3,(H,17,20)(H,18,19)/t12-/m0/s1