(phenylmethyl) 2-[[2-azanyl-5-oxidanylidene-5-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-(4-hydroxyphenyl)propanoate

Systemtic Name: (phenylmethyl) 2-[[2-azanyl-5-oxidanylidene-5-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-(4-hydroxyphenyl)propanoate Openeye Name: benzyl 2-[[2-amino-5-(benzyloxycarbonylamino)-5-oxo-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoate CAS Name: 2-[[2-amino-1,5-dioxo-5-(phenylmethoxycarbonylamino)pentyl]amino]-3-(4-hydroxyphenyl)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[2-amino-5-oxo-5-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-(4-hydroxyphenyl)propanoate Traditional Name: 2-[[2-amino-5-(benzyloxycarbonylamino)-5-keto-pentanoyl]amino]-3-(4-hydroxyphenyl)propionic acid benzyl ester Formula: C29H31N3O7 MolecularWeight: 533.57234

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CCC(=O)NC(=O)OCC3=CC=CC=C3)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CCC(=O)NC(=O)OCC3=CC=CC=C3)N

InChI

InChI=1S/C29H31N3O7/c30-24(15-16-26(34)32-29(37)39-19-22-9-5-2-6-10-22)27(35)31-25(17-20-11-13-23(33)14-12-20)28(36)38-18-21-7-3-1-4-8-21/h1-14,24-25,33H,15-19,30H2,(H,31,35)(H,32,34,37)