methyl (2R)-2-[azanyl-(phenylmethyl)amino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2R)-2-[azanyl-(phenylmethyl)amino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2R)-2-[amino(benzyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[amino-(phenylmethyl)amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2R)-2-[amino(benzyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[amino(benzyl)amino]-4-(methylthio)butyric acid methyl ester Formula: C13H20N2O2S MolecularWeight: 268.3751

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)N(CC1=CC=CC=C1)N

Isomeric SMILES

COC(=O)[C@@H](CCSC)N(CC1=CC=CC=C1)N

InChI

InChI=1S/C13H20N2O2S/c1-17-13(16)12(8-9-18-2)15(14)10-11-6-4-3-5-7-11/h3-7,12H,8-10,14H2,1-2H3/t12-/m1/s1