(phenylmethyl) (2R)-2-(2-azanylethanoylamino)-3-[(4-methylphenyl)methylsulfanyl]propanoate

Systemtic Name: (phenylmethyl) (2R)-2-(2-azanylethanoylamino)-3-[(4-methylphenyl)methylsulfanyl]propanoate Openeye Name: benzyl (2R)-2-[(2-aminoacetyl)amino]-3-(p-tolylmethylsulfanyl)propanoate CAS Name: (2R)-2-[(2-amino-1-oxoethyl)amino]-3-[(4-methylphenyl)methylthio]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2R)-2-[(2-aminoacetyl)amino]-3-[(4-methylphenyl)methylsulfanyl]propanoate Traditional Name: (2R)-2-(glycylamino)-3-[(4-methylbenzyl)thio]propionic acid benzyl ester Formula: C20H24N2O3S MolecularWeight: 372.48116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCC(C(=O)OCC2=CC=CC=C2)NC(=O)CN

Isomeric SMILES

CC1=CC=C(C=C1)CSC[C@@H](C(=O)OCC2=CC=CC=C2)NC(=O)CN

InChI

InChI=1S/C20H24N2O3S/c1-15-7-9-17(10-8-15)13-26-14-18(22-19(23)11-21)20(24)25-12-16-5-3-2-4-6-16/h2-10,18H,11-14,21H2,1H3,(H,22,23)/t18-/m0/s1