butyl 4-[(2R)-3-bis[(2-methoxy-2-oxidanylidene-ethyl)amino]phosphoryl-2-[[6-[(3S)-3-methoxypyrrolidin-1-yl]-2-phenyl-pyrimidin-4-yl]carbonylamino]propanoyl]piperazine-1-carboxylate

Systemtic Name: butyl 4-[(2R)-3-bis[(2-methoxy-2-oxidanylidene-ethyl)amino]phosphoryl-2-[[6-[(3S)-3-methoxypyrrolidin-1-yl]-2-phenyl-pyrimidin-4-yl]carbonylamino]propanoyl]piperazine-1-carboxylate Openeye Name: butyl 4-[(2R)-3-bis[(2-methoxy-2-oxo-ethyl)amino]phosphoryl-2-[[6-[(3S)-3-methoxypyrrolidin-1-yl]-2-phenyl-pyrimidine-4-carbonyl]amino]propanoyl]piperazine-1-carboxylate CAS Name: 4-[(2R)-3-bis[(2-methoxy-2-oxoethyl)amino]phosphoryl-2-[[[6-[(3S)-3-methoxy-1-pyrrolidinyl]-2-phenyl-4-pyrimidinyl]-oxomethyl]amino]-1-oxopropyl]-1-piperazinecarboxylic acid butyl ester IUPAC Name: butyl 4-[(2R)-3-bis[(2-methoxy-2-oxoethyl)amino]phosphoryl-2-[[6-[(3S)-3-methoxypyrrolidin-1-yl]-2-phenylpyrimidine-4-carbonyl]amino]propanoyl]piperazine-1-carboxylate Traditional Name: 4-[(2R)-3-bis[(2-keto-2-methoxy-ethyl)amino]phosphoryl-2-[[6-[(3S)-3-methoxypyrrolidino]-2-phenyl-pyrimidine-4-carbonyl]amino]propanoyl]piperazine-1-carboxylic acid butyl ester Formula: C34H49N8O10P MolecularWeight: 760.774221

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)N1CCN(CC1)C(=O)C(CP(=O)(NCC(=O)OC)NCC(=O)OC)NC(=O)C2=CC(=NC(=N2)C3=CC=CC=C3)N4CCC(C4)OC

Isomeric SMILES

CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CP(=O)(NCC(=O)OC)NCC(=O)OC)NC(=O)C2=CC(=NC(=N2)C3=CC=CC=C3)N4CC[C@@H](C4)OC

InChI

InChI=1S/C34H49N8O10P/c1-5-6-18-52-34(47)41-16-14-40(15-17-41)33(46)27(23-53(48,35-20-29(43)50-3)36-21-30(44)51-4)38-32(45)26-19-28(42-13-12-25(22-42)49-2)39-31(37-26)24-10-8-7-9-11-24/h7-11,19,25,27H,5-6,12-18,20-23H2,1-4H3,(H,38,45)(H2,35,36,48)/t25-,27-/m0/s1