[(3S)-4-(4-butoxycarbonylpiperazin-1-yl)-4-oxidanylidene-3-[[2-phenyl-6-(propan-2-ylamino)pyrimidin-4-yl]carbonylamino]butyl]phosphonic acid

Systemtic Name: [(3S)-4-(4-butoxycarbonylpiperazin-1-yl)-4-oxidanylidene-3-[[2-phenyl-6-(propan-2-ylamino)pyrimidin-4-yl]carbonylamino]butyl]phosphonic acid Openeye Name: [(3S)-4-(4-butoxycarbonylpiperazin-1-yl)-3-[[6-(isopropylamino)-2-phenyl-pyrimidine-4-carbonyl]amino]-4-oxo-butyl]phosphonic acid CAS Name: [(3S)-4-[4-[butoxy(oxo)methyl]-1-piperazinyl]-4-oxo-3-[[oxo-[2-phenyl-6-(propan-2-ylamino)-4-pyrimidinyl]methyl]amino]butyl]phosphonic acid IUPAC Name: [(3S)-4-(4-butoxycarbonylpiperazin-1-yl)-4-oxo-3-[[2-phenyl-6-(propan-2-ylamino)pyrimidine-4-carbonyl]amino]butyl]phosphonic acid Traditional Name: [(3S)-4-(4-butoxycarbonylpiperazino)-3-[[6-(isopropylamino)-2-phenyl-pyrimidine-4-carbonyl]amino]-4-keto-butyl]phosphonic acid Formula: C27H39N6O7P MolecularWeight: 590.608321

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H39N6O7P/c1-4-5-16-40-27(36)33-14-12-32(13-15-33)26(35)21(11-17-41(37,38)39)30-25(34)22-18-23(28-19(2)3)31-24(29-22)20-9-7-6-8-10-20/h6-10,18-19,21H,4-5,11-17H2,1-3H3,(H,30,34)(H,28,29,31)(H2,37,38,39)/t21-/m0/s1