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

Systemtic Name: [(2R)-3-(4-butoxycarbonylpiperazin-1-yl)-2-[(6-butyl-2-phenyl-pyrimidin-4-yl)carbonylamino]-3-oxidanylidene-propyl]phosphonic acid Openeye Name: [(2R)-3-(4-butoxycarbonylpiperazin-1-yl)-2-[(6-butyl-2-phenyl-pyrimidine-4-carbonyl)amino]-3-oxo-propyl]phosphonic acid CAS Name: [(2R)-3-[4-[butoxy(oxo)methyl]-1-piperazinyl]-2-[[(6-butyl-2-phenyl-4-pyrimidinyl)-oxomethyl]amino]-3-oxopropyl]phosphonic acid IUPAC Name: [(2R)-3-(4-butoxycarbonylpiperazin-1-yl)-2-[(6-butyl-2-phenylpyrimidine-4-carbonyl)amino]-3-oxopropyl]phosphonic acid Traditional Name: [(2R)-3-(4-butoxycarbonylpiperazino)-2-[(6-butyl-2-phenyl-pyrimidine-4-carbonyl)amino]-3-keto-propyl]phosphonic acid Formula: C27H38N5O7P MolecularWeight: 575.593681

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=NC(=C1)C(=O)NC(CP(=O)(O)O)C(=O)N2CCN(CC2)C(=O)OCCCC)C3=CC=CC=C3

Isomeric SMILES

CCCCC1=NC(=NC(=C1)C(=O)N[C@@H](CP(=O)(O)O)C(=O)N2CCN(CC2)C(=O)OCCCC)C3=CC=CC=C3

InChI

InChI=1S/C27H38N5O7P/c1-3-5-12-21-18-22(29-24(28-21)20-10-8-7-9-11-20)25(33)30-23(19-40(36,37)38)26(34)31-13-15-32(16-14-31)27(35)39-17-6-4-2/h7-11,18,23H,3-6,12-17,19H2,1-2H3,(H,30,33)(H2,36,37,38)/t23-/m0/s1