(2S)-2-[(2-methoxyphenyl)methylcarbamoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[(2-methoxyphenyl)methylcarbamoylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[(2-methoxyphenyl)methylcarbamoylamino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[(2-methoxyphenyl)methylamino]-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[(2-methoxyphenyl)methylcarbamoylamino]-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-(o-anisylcarbamoylamino)butyrate Formula: C14H19N2O4S- MolecularWeight: 311.37666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CNC(=O)NC(CCSC)C(=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1CNC(=O)N[C@@H](CCSC)C(=O)[O-]

InChI

InChI=1S/C14H20N2O4S/c1-20-12-6-4-3-5-10(12)9-15-14(19)16-11(13(17)18)7-8-21-2/h3-6,11H,7-9H2,1-2H3,(H,17,18)(H2,15,16,19)/p-1/t11-/m0/s1