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

Systemtic Name: (phenylmethyl) 2-[(2-azanyl-3-phenyl-propanoyl)amino]-4-methylsulfanyl-butanoate Openeye Name: benzyl 2-[(2-amino-3-phenyl-propanoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[(2-amino-1-oxo-3-phenylpropyl)amino]-4-(methylthio)butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(2-amino-3-phenylpropanoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 4-(methylthio)-2-(phenylalanylamino)butyric acid benzyl ester Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)N

Isomeric SMILES

CSCCC(C(=O)OCC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)N

InChI

InChI=1S/C21H26N2O3S/c1-27-13-12-19(21(25)26-15-17-10-6-3-7-11-17)23-20(24)18(22)14-16-8-4-2-5-9-16/h2-11,18-19H,12-15,22H2,1H3,(H,23,24)