methyl 2-[(2-azanyl-3-phenyl-propanoyl)amino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[(2-azanyl-3-phenyl-propanoyl)amino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[(2-amino-3-phenyl-propanoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[(2-amino-1-oxo-3-phenylpropyl)amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[(2-amino-3-phenylpropanoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 4-(methylthio)-2-(phenylalanylamino)butyric acid methyl ester Formula: C15H22N2O3S MolecularWeight: 310.41178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O3S/c1-20-15(19)13(8-9-21-2)17-14(18)12(16)10-11-6-4-3-5-7-11/h3-7,12-13H,8-10,16H2,1-2H3,(H,17,18)