2-[3-[(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-[3-[(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-[3-[(1-carboxy-3-phenyl-propyl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[3-[(1-hydroxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxopropyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-[3-[(1-hydroxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-[3-[(1-carboxy-3-phenyl-propyl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C23H26N2O5 MolecularWeight: 410.46294

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)CCNC(CCC3=CC=CC=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)C(=O)CCNC(CCC3=CC=CC=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C23H26N2O5/c26-21(25-15-18-9-5-4-8-17(18)14-20(25)23(29)30)12-13-24-19(22(27)28)11-10-16-6-2-1-3-7-16/h1-9,19-20,24H,10-15H2,(H,27,28)(H,29,30)