2-[(4S)-4-[1,3-bis(oxidanylidene)isoindol-2-yl]-8-oxidanyl-3-oxidanylidene-7-(phenylmethyl)-4,5-dihydro-1H-2-benzazepin-2-yl]ethanoic acid

Systemtic Name: 2-[(4S)-4-[1,3-bis(oxidanylidene)isoindol-2-yl]-8-oxidanyl-3-oxidanylidene-7-(phenylmethyl)-4,5-dihydro-1H-2-benzazepin-2-yl]ethanoic acid Openeye Name: 2-[(4S)-7-benzyl-4-(1,3-dioxoisoindolin-2-yl)-8-hydroxy-3-oxo-4,5-dihydro-1H-2-benzazepin-2-yl]acetic acid CAS Name: 2-[(4S)-4-(1,3-dioxo-2-isoindolyl)-8-hydroxy-3-oxo-7-(phenylmethyl)-4,5-dihydro-1H-2-benzazepin-2-yl]acetic acid IUPAC Name: 2-[(4S)-7-benzyl-4-(1,3-dioxoisoindol-2-yl)-8-hydroxy-3-oxo-4,5-dihydro-1H-2-benzazepin-2-yl]acetic acid Traditional Name: 2-[(4S)-7-benzyl-8-hydroxy-3-keto-4-phthalimido-4,5-dihydro-1H-2-benzazepin-2-yl]acetic acid Formula: C27H22N2O6 MolecularWeight: 470.47338

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(CC2=CC(=C(C=C21)CC3=CC=CC=C3)O)CC(=O)O)N4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1[C@@H](C(=O)N(CC2=CC(=C(C=C21)CC3=CC=CC=C3)O)CC(=O)O)N4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C27H22N2O6/c30-23-13-19-14-28(15-24(31)32)27(35)22(29-25(33)20-8-4-5-9-21(20)26(29)34)12-17(19)11-18(23)10-16-6-2-1-3-7-16/h1-9,11,13,22,30H,10,12,14-15H2,(H,31,32)/t22-/m0/s1