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

Systemtic Name: (phenylmethyl) 2-[[2-(2-azanylpropanoylamino)-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoate Openeye Name: benzyl 2-[[2-(2-aminopropanoylamino)-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoate CAS Name: 2-[[2-[(2-amino-1-oxopropyl)amino]-3-methyl-1-oxobutyl]amino]-3-(4-hydroxyphenyl)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[2-(2-aminopropanoylamino)-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoate Traditional Name: 2-[[2-(alanylamino)-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propionic acid benzyl ester Formula: C24H31N3O5 MolecularWeight: 441.52004

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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)NC(=O)C(C)N

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O5/c1-15(2)21(27-22(29)16(3)25)23(30)26-20(13-17-9-11-19(28)12-10-17)24(31)32-14-18-7-5-4-6-8-18/h4-12,15-16,20-21,28H,13-14,25H2,1-3H3,(H,26,30)(H,27,29)