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

Systemtic Name: [(3S)-4-(4-butoxycarbonylpiperazin-1-yl)-3-[(6-morpholin-4-yl-2-phenyl-pyrimidin-4-yl)carbonylamino]-4-oxidanylidene-butyl]phosphonic acid Openeye Name: [(3S)-4-(4-butoxycarbonylpiperazin-1-yl)-3-[(6-morpholino-2-phenyl-pyrimidine-4-carbonyl)amino]-4-oxo-butyl]phosphonic acid CAS Name: [(3S)-4-[4-[butoxy(oxo)methyl]-1-piperazinyl]-3-[[[6-(4-morpholinyl)-2-phenyl-4-pyrimidinyl]-oxomethyl]amino]-4-oxobutyl]phosphonic acid IUPAC Name: [(3S)-4-(4-butoxycarbonylpiperazin-1-yl)-3-[(6-morpholin-4-yl-2-phenylpyrimidine-4-carbonyl)amino]-4-oxobutyl]phosphonic acid Traditional Name: [(3S)-4-(4-butoxycarbonylpiperazino)-4-keto-3-[(6-morpholino-2-phenyl-pyrimidine-4-carbonyl)amino]butyl]phosphonic acid Formula: C28H39N6O8P MolecularWeight: 618.618421

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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)N4CCOCC4

Isomeric SMILES

CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCP(=O)(O)O)NC(=O)C2=CC(=NC(=N2)C3=CC=CC=C3)N4CCOCC4

InChI

InChI=1S/C28H39N6O8P/c1-2-3-16-42-28(37)34-12-10-33(11-13-34)27(36)22(9-19-43(38,39)40)30-26(35)23-20-24(32-14-17-41-18-15-32)31-25(29-23)21-7-5-4-6-8-21/h4-8,20,22H,2-3,9-19H2,1H3,(H,30,35)(H2,38,39,40)/t22-/m0/s1