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

Systemtic Name: methyl 3-[[(2S)-2-azanyl-4-methylsulfanyl-butanoyl]amino]benzoate Openeye Name: methyl 3-[[(2S)-2-amino-4-methylsulfanyl-butanoyl]amino]benzoate CAS Name: 3-[[(2S)-2-amino-4-(methylthio)-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]benzoate Traditional Name: 3-[[(2S)-2-amino-4-(methylthio)butanoyl]amino]benzoic acid methyl ester Formula: C13H18N2O3S MolecularWeight: 282.35862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O3S/c1-18-13(17)9-4-3-5-10(8-9)15-12(16)11(14)6-7-19-2/h3-5,8,11H,6-7,14H2,1-2H3,(H,15,16)/t11-/m0/s1