(phenylmethyl) 3-(4-hydroxyphenyl)-2-[[3-oxidanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoate

Systemtic Name: (phenylmethyl) 3-(4-hydroxyphenyl)-2-[[3-oxidanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoate Openeye Name: benzyl 2-[[2-(benzyloxycarbonylamino)-3-hydroxy-butanoyl]amino]-3-(4-hydroxyphenyl)propanoate CAS Name: 2-[[3-hydroxy-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]-3-(4-hydroxyphenyl)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(4-hydroxyphenyl)-2-[[3-hydroxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoate Traditional Name: 2-[[2-(benzyloxycarbonylamino)-3-hydroxy-butanoyl]amino]-3-(4-hydroxyphenyl)propionic acid benzyl ester Formula: C28H30N2O7 MolecularWeight: 506.547

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)O

Isomeric SMILES

CC(C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)O

InChI

InChI=1S/C28H30N2O7/c1-19(31)25(30-28(35)37-18-22-10-6-3-7-11-22)26(33)29-24(16-20-12-14-23(32)15-13-20)27(34)36-17-21-8-4-2-5-9-21/h2-15,19,24-25,31-32H,16-18H2,1H3,(H,29,33)(H,30,35)