3-(4-hydroxyphenyl)-2-[[3-oxidanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid

Systemtic Name: 3-(4-hydroxyphenyl)-2-[[3-oxidanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid Openeye Name: 2-[[2-(benzyloxycarbonylamino)-3-hydroxy-propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: 2-[[3-hydroxy-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: 3-(4-hydroxyphenyl)-2-[[3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid Traditional Name: 2-[[2-(benzyloxycarbonylamino)-3-hydroxy-propanoyl]amino]-3-(4-hydroxyphenyl)propionic acid Formula: C20H22N2O7 MolecularWeight: 402.39788

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CO)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CO)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)O

InChI

InChI=1S/C20H22N2O7/c23-11-17(22-20(28)29-12-14-4-2-1-3-5-14)18(25)21-16(19(26)27)10-13-6-8-15(24)9-7-13/h1-9,16-17,23-24H,10-12H2,(H,21,25)(H,22,28)(H,26,27)