methyl 3-[[(2S)-2-azanyl-4-methylsulfanyl-butanoyl]amino]-4-chloranyl-benzoate

Systemtic Name: methyl 3-[[(2S)-2-azanyl-4-methylsulfanyl-butanoyl]amino]-4-chloranyl-benzoate Openeye Name: methyl 3-[[(2S)-2-amino-4-methylsulfanyl-butanoyl]amino]-4-chloro-benzoate CAS Name: 3-[[(2S)-2-amino-4-(methylthio)-1-oxobutyl]amino]-4-chlorobenzoic acid methyl ester IUPAC Name: methyl 3-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-4-chlorobenzoate Traditional Name: 3-[[(2S)-2-amino-4-(methylthio)butanoyl]amino]-4-chloro-benzoic acid methyl ester Formula: C13H17ClN2O3S MolecularWeight: 316.80368

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(CCSC)N

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)[C@H](CCSC)N

InChI

InChI=1S/C13H17ClN2O3S/c1-19-13(18)8-3-4-9(14)11(7-8)16-12(17)10(15)5-6-20-2/h3-4,7,10H,5-6,15H2,1-2H3,(H,16,17)/t10-/m0/s1