3-[[2-oxidanyl-4-[2-[(phenylmethyl)carbamoylamino]ethoxy]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[2-oxidanyl-4-[2-[(phenylmethyl)carbamoylamino]ethoxy]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[2-(benzylcarbamoylamino)ethoxy]-2-hydroxy-benzoyl]amino]propanoic acid CAS Name: 3-[[[2-hydroxy-4-[2-[[oxo-[(phenylmethyl)amino]methyl]amino]ethoxy]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[2-(benzylcarbamoylamino)ethoxy]-2-hydroxybenzoyl]amino]propanoic acid Traditional Name: 3-[[4-[2-(benzylcarbamoylamino)ethoxy]-2-hydroxy-benzoyl]amino]propionic acid Formula: C20H23N3O6 MolecularWeight: 401.41312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)NCCOC2=CC(=C(C=C2)C(=O)NCCC(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)NCCOC2=CC(=C(C=C2)C(=O)NCCC(=O)O)O

InChI

InChI=1S/C20H23N3O6/c24-17-12-15(6-7-16(17)19(27)21-9-8-18(25)26)29-11-10-22-20(28)23-13-14-4-2-1-3-5-14/h1-7,12,24H,8-11,13H2,(H,21,27)(H,25,26)(H2,22,23,28)