(phenylmethyl) 2-[(2-azanyl-3-methyl-butanoyl)amino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: (phenylmethyl) 2-[(2-azanyl-3-methyl-butanoyl)amino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: benzyl 2-[(2-amino-3-methyl-butanoyl)amino]-3-benzylsulfanyl-propanoate CAS Name: 2-[(2-amino-3-methyl-1-oxobutyl)amino]-3-(phenylmethylthio)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(2-amino-3-methylbutanoyl)amino]-3-benzylsulfanylpropanoate Traditional Name: 2-[(2-amino-3-methyl-butanoyl)amino]-3-(benzylthio)propionic acid benzyl ester Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CSCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)N

Isomeric SMILES

CC(C)C(C(=O)NC(CSCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)N

InChI

InChI=1S/C22H28N2O3S/c1-16(2)20(23)21(25)24-19(15-28-14-18-11-7-4-8-12-18)22(26)27-13-17-9-5-3-6-10-17/h3-12,16,19-20H,13-15,23H2,1-2H3,(H,24,25)