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

Systemtic Name: 2-[(3S)-3-[[(2S)-1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl]-nitro-amino]-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid Openeye Name: 2-[(3S)-3-[[(1S)-1-ethoxycarbonyl-3-phenyl-propyl]-nitro-amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid CAS Name: 2-[(3S)-3-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]-nitroamino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid IUPAC Name: 2-[(3S)-3-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]-nitroamino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Traditional Name: 2-[(3S)-3-[[(1S)-1-carbethoxy-3-phenyl-propyl]-nitro-amino]-2-keto-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Formula: C24H27N3O7 MolecularWeight: 469.48708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)N(C2CCC3=CC=CC=C3N(C2=O)CC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)[C@H](CCC1=CC=CC=C1)N([C@H]2CCC3=CC=CC=C3N(C2=O)CC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C24H27N3O7/c1-2-34-24(31)21(14-12-17-8-4-3-5-9-17)26(27(32)33)20-15-13-18-10-6-7-11-19(18)25(23(20)30)16-22(28)29/h3-11,20-21H,2,12-16H2,1H3,(H,28,29)/t20-,21-/m0/s1