2-[(3S)-5-acetyloxy-3-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid

Systemtic Name: 2-[(3S)-5-acetyloxy-3-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid Openeye Name: 2-[(3S)-5-acetoxy-3-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid CAS Name: 2-[(3S)-5-acetyloxy-3-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid IUPAC Name: 2-[(3S)-5-acetyloxy-3-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Traditional Name: 2-[(3S)-5-acetoxy-3-[(1-carbethoxy-3-phenyl-propyl)amino]-2-keto-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Formula: C26H30N2O7 MolecularWeight: 482.5256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC2CC(C3=CC=CC=C3N(C2=O)CC(=O)O)OC(=O)C

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)N[C@H]2CC(C3=CC=CC=C3N(C2=O)CC(=O)O)OC(=O)C

InChI

InChI=1S/C26H30N2O7/c1-3-34-26(33)20(14-13-18-9-5-4-6-10-18)27-21-15-23(35-17(2)29)19-11-7-8-12-22(19)28(25(21)32)16-24(30)31/h4-12,20-21,23,27H,3,13-16H2,1-2H3,(H,30,31)/t20?,21-,23?/m0/s1