2-[3-[cyclopentylcarbonyl-(2-methyl-3-phenyl-1-phosphono-propyl)amino]-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoate

Systemtic Name: 2-[3-[cyclopentylcarbonyl-(2-methyl-3-phenyl-1-phosphono-propyl)amino]-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoate Openeye Name: 2-[3-[cyclopentanecarbonyl-(2-methyl-3-phenyl-1-phosphono-propyl)amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetate CAS Name: 2-[3-[[cyclopentyl(oxo)methyl]-(2-methyl-3-phenyl-1-phosphonopropyl)amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetate IUPAC Name: 2-[3-[cyclopentanecarbonyl-(2-methyl-3-phenyl-1-phosphonopropyl)amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetate Traditional Name: 2-[3-[cyclopentanecarbonyl-(2-methyl-3-phenyl-1-phosphono-propyl)amino]-2-keto-4,5-dihydro-3H-1-benzazepin-1-yl]acetate Formula: C28H34N2O7P- MolecularWeight: 541.552521

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)C(N(C2CCC3=CC=CC=C3N(C2=O)CC(=O)[O-])C(=O)C4CCCC4)P(=O)(O)O

Isomeric SMILES

CC(CC1=CC=CC=C1)C(N(C2CCC3=CC=CC=C3N(C2=O)CC(=O)[O-])C(=O)C4CCCC4)P(=O)(O)O

InChI

InChI=1S/C28H35N2O7P/c1-19(17-20-9-3-2-4-10-20)28(38(35,36)37)30(26(33)22-12-5-6-13-22)24-16-15-21-11-7-8-14-23(21)29(27(24)34)18-25(31)32/h2-4,7-11,14,19,22,24,28H,5-6,12-13,15-18H2,1H3,(H,31,32)(H2,35,36,37)/p-1