[(2R)-3-(4-butoxycarbonylpiperazin-1-yl)-2-[(6-cyclopropyl-2-phenyl-pyrimidin-4-yl)carbonylamino]-3-oxidanylidene-propyl]phosphonic acid

Systemtic Name: [(2R)-3-(4-butoxycarbonylpiperazin-1-yl)-2-[(6-cyclopropyl-2-phenyl-pyrimidin-4-yl)carbonylamino]-3-oxidanylidene-propyl]phosphonic acid Openeye Name: [(2R)-3-(4-butoxycarbonylpiperazin-1-yl)-2-[(6-cyclopropyl-2-phenyl-pyrimidine-4-carbonyl)amino]-3-oxo-propyl]phosphonic acid CAS Name: [(2R)-3-[4-[butoxy(oxo)methyl]-1-piperazinyl]-2-[[(6-cyclopropyl-2-phenyl-4-pyrimidinyl)-oxomethyl]amino]-3-oxopropyl]phosphonic acid IUPAC Name: [(2R)-3-(4-butoxycarbonylpiperazin-1-yl)-2-[(6-cyclopropyl-2-phenylpyrimidine-4-carbonyl)amino]-3-oxopropyl]phosphonic acid Traditional Name: [(2R)-3-(4-butoxycarbonylpiperazino)-2-[(6-cyclopropyl-2-phenyl-pyrimidine-4-carbonyl)amino]-3-keto-propyl]phosphonic acid Formula: C26H34N5O7P MolecularWeight: 559.551221

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)N1CCN(CC1)C(=O)C(CP(=O)(O)O)NC(=O)C2=CC(=NC(=N2)C3=CC=CC=C3)C4CC4

Isomeric SMILES

CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CP(=O)(O)O)NC(=O)C2=CC(=NC(=N2)C3=CC=CC=C3)C4CC4

InChI

InChI=1S/C26H34N5O7P/c1-2-3-15-38-26(34)31-13-11-30(12-14-31)25(33)22(17-39(35,36)37)29-24(32)21-16-20(18-9-10-18)27-23(28-21)19-7-5-4-6-8-19/h4-8,16,18,22H,2-3,9-15,17H2,1H3,(H,29,32)(H2,35,36,37)/t22-/m0/s1