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

Systemtic Name: [(3S)-4-(4-butoxycarbonylpiperazin-1-yl)-4-oxidanylidene-3-[(2-phenyl-6-pyrrolidin-1-yl-pyrimidin-4-yl)carbonylamino]butyl]phosphonic acid Openeye Name: [(3S)-4-(4-butoxycarbonylpiperazin-1-yl)-4-oxo-3-[(2-phenyl-6-pyrrolidin-1-yl-pyrimidine-4-carbonyl)amino]butyl]phosphonic acid CAS Name: [(3S)-4-[4-[butoxy(oxo)methyl]-1-piperazinyl]-4-oxo-3-[[oxo-[2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl]methyl]amino]butyl]phosphonic acid IUPAC Name: [(3S)-4-(4-butoxycarbonylpiperazin-1-yl)-4-oxo-3-[(2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carbonyl)amino]butyl]phosphonic acid Traditional Name: [(3S)-4-(4-butoxycarbonylpiperazino)-4-keto-3-[(2-phenyl-6-pyrrolidino-pyrimidine-4-carbonyl)amino]butyl]phosphonic acid Formula: C28H39N6O7P MolecularWeight: 602.619021

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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)N4CCCC4

Isomeric SMILES

CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCP(=O)(O)O)NC(=O)C2=CC(=NC(=N2)C3=CC=CC=C3)N4CCCC4

InChI

InChI=1S/C28H39N6O7P/c1-2-3-18-41-28(37)34-16-14-33(15-17-34)27(36)22(11-19-42(38,39)40)30-26(35)23-20-24(32-12-7-8-13-32)31-25(29-23)21-9-5-4-6-10-21/h4-6,9-10,20,22H,2-3,7-8,11-19H2,1H3,(H,30,35)(H2,38,39,40)/t22-/m0/s1