2-[3-[[1-[1-(2,2-dimethylpropanoyloxy)-2-phosphono-butan-2-yl]cyclopentyl]carbonylamino]-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid

Systemtic Name: 2-[3-[[1-[1-(2,2-dimethylpropanoyloxy)-2-phosphono-butan-2-yl]cyclopentyl]carbonylamino]-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid Openeye Name: 2-[3-[[1-[1-(2,2-dimethylpropanoyloxymethyl)-1-phosphono-propyl]cyclopentanecarbonyl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid CAS Name: 2-[3-[[[1-[1-(2,2-dimethyl-1-oxopropoxy)-2-phosphonobutan-2-yl]cyclopentyl]-oxomethyl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid IUPAC Name: 2-[3-[[1-[1-(2,2-dimethylpropanoyloxy)-2-phosphonobutan-2-yl]cyclopentanecarbonyl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Traditional Name: 2-[2-keto-3-[[1-[1-phosphono-1-(pivaloyloxymethyl)propyl]cyclopentanecarbonyl]amino]-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Formula: C27H39N2O9P MolecularWeight: 566.580321

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(COC(=O)C(C)(C)C)(C1(CCCC1)C(=O)NC2CCC3=CC=CC=C3N(C2=O)CC(=O)O)P(=O)(O)O

Isomeric SMILES

CCC(COC(=O)C(C)(C)C)(C1(CCCC1)C(=O)NC2CCC3=CC=CC=C3N(C2=O)CC(=O)O)P(=O)(O)O

InChI

InChI=1S/C27H39N2O9P/c1-5-27(39(35,36)37,17-38-24(34)25(2,3)4)26(14-8-9-15-26)23(33)28-19-13-12-18-10-6-7-11-20(18)29(22(19)32)16-21(30)31/h6-7,10-11,19H,5,8-9,12-17H2,1-4H3,(H,28,33)(H,30,31)(H2,35,36,37)