[[4-[2-acetamido-3-[[3-(3-cyclohexylpropyl)-2-oxidanylidene-cycloheptyl]amino]-3-oxidanylidene-propyl]phenyl]-bis(fluoranyl)methyl]phosphonic acid

Systemtic Name: [[4-[2-acetamido-3-[[3-(3-cyclohexylpropyl)-2-oxidanylidene-cycloheptyl]amino]-3-oxidanylidene-propyl]phenyl]-bis(fluoranyl)methyl]phosphonic acid Openeye Name: [[4-[2-acetamido-3-[[3-(3-cyclohexylpropyl)-2-oxo-cycloheptyl]amino]-3-oxo-propyl]phenyl]-difluoro-methyl]phosphonic acid CAS Name: [[4-[2-acetamido-3-[[3-(3-cyclohexylpropyl)-2-oxocycloheptyl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid IUPAC Name: [[4-[2-acetamido-3-[[3-(3-cyclohexylpropyl)-2-oxocycloheptyl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid Traditional Name: [[4-[2-acetamido-3-[[3-(3-cyclohexylpropyl)-2-keto-cycloheptyl]amino]-3-keto-propyl]phenyl]-difluoro-methyl]phosphonic acid Formula: C28H41F2N2O6P MolecularWeight: 570.605507

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=C(C=C1)C(F)(F)P(=O)(O)O)C(=O)NC2CCCCC(C2=O)CCCC3CCCCC3

Isomeric SMILES

CC(=O)NC(CC1=CC=C(C=C1)C(F)(F)P(=O)(O)O)C(=O)NC2CCCCC(C2=O)CCCC3CCCCC3

InChI

InChI=1S/C28H41F2N2O6P/c1-19(33)31-25(18-21-14-16-23(17-15-21)28(29,30)39(36,37)38)27(35)32-24-13-6-5-11-22(26(24)34)12-7-10-20-8-3-2-4-9-20/h14-17,20,22,24-25H,2-13,18H2,1H3,(H,31,33)(H,32,35)(H2,36,37,38)