(phenylmethyl) 2-[(2-azanyl-3-methyl-butanoyl)amino]-3-(4-hydroxyphenyl)propanoate

Systemtic Name: (phenylmethyl) 2-[(2-azanyl-3-methyl-butanoyl)amino]-3-(4-hydroxyphenyl)propanoate Openeye Name: benzyl 2-[(2-amino-3-methyl-butanoyl)amino]-3-(4-hydroxyphenyl)propanoate CAS Name: 2-[(2-amino-3-methyl-1-oxobutyl)amino]-3-(4-hydroxyphenyl)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(2-amino-3-methylbutanoyl)amino]-3-(4-hydroxyphenyl)propanoate Traditional Name: 2-[(2-amino-3-methyl-butanoyl)amino]-3-(4-hydroxyphenyl)propionic acid benzyl ester Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)OCC2=CC=CC=C2)N

Isomeric SMILES

CC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)OCC2=CC=CC=C2)N

InChI

InChI=1S/C21H26N2O4/c1-14(2)19(22)20(25)23-18(12-15-8-10-17(24)11-9-15)21(26)27-13-16-6-4-3-5-7-16/h3-11,14,18-19,24H,12-13,22H2,1-2H3,(H,23,25)