[(2R)-2-[[4-[5-[[(1S)-1-(3-chlorophenyl)-2-(4-morpholin-4-yl-4-oxidanylidene-butanoyl)oxy-ethyl]carbamoyl]-1H-pyrrol-3-yl]-5-methyl-pyrimidin-2-yl]amino]butyl] 4-morpholin-4-yl-4-oxidanylidene-butanoate

Systemtic Name: [(2R)-2-[[4-[5-[[(1S)-1-(3-chlorophenyl)-2-(4-morpholin-4-yl-4-oxidanylidene-butanoyl)oxy-ethyl]carbamoyl]-1H-pyrrol-3-yl]-5-methyl-pyrimidin-2-yl]amino]butyl] 4-morpholin-4-yl-4-oxidanylidene-butanoate Openeye Name: [(2R)-2-[[4-[5-[[(1S)-1-(3-chlorophenyl)-2-(4-morpholino-4-oxo-butanoyl)oxy-ethyl]carbamoyl]-1H-pyrrol-3-yl]-5-methyl-pyrimidin-2-yl]amino]butyl] 4-morpholino-4-oxo-butanoate CAS Name: 4-(4-morpholinyl)-4-oxobutanoic acid [(2R)-2-[[4-[5-[[[(1S)-1-(3-chlorophenyl)-2-[4-(4-morpholinyl)-1,4-dioxobutoxy]ethyl]amino]-oxomethyl]-1H-pyrrol-3-yl]-5-methyl-2-pyrimidinyl]amino]butyl] ester IUPAC Name: [(2R)-2-[[4-[5-[[(1S)-1-(3-chlorophenyl)-2-(4-morpholin-4-yl-4-oxobutanoyl)oxyethyl]carbamoyl]-1H-pyrrol-3-yl]-5-methylpyrimidin-2-yl]amino]butyl] 4-morpholin-4-yl-4-oxobutanoate Traditional Name: 4-keto-4-morpholino-butyric acid [(2R)-2-[[4-[5-[[(1S)-1-(3-chlorophenyl)-2-(4-keto-4-morpholino-butanoyl)oxy-ethyl]carbamoyl]-1H-pyrrol-3-yl]-5-methyl-pyrimidin-2-yl]amino]butyl] ester Formula: C38H48ClN7O9 MolecularWeight: 782.28222

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COC(=O)CCC(=O)N1CCOCC1)NC2=NC=C(C(=N2)C3=CNC(=C3)C(=O)NC(COC(=O)CCC(=O)N4CCOCC4)C5=CC(=CC=C5)Cl)C

Isomeric SMILES

CC[C@H](COC(=O)CCC(=O)N1CCOCC1)NC2=NC=C(C(=N2)C3=CNC(=C3)C(=O)N[C@H](COC(=O)CCC(=O)N4CCOCC4)C5=CC(=CC=C5)Cl)C

InChI

InChI=1S/C38H48ClN7O9/c1-3-29(23-54-34(49)9-7-32(47)45-11-15-52-16-12-45)42-38-41-21-25(2)36(44-38)27-20-30(40-22-27)37(51)43-31(26-5-4-6-28(39)19-26)24-55-35(50)10-8-33(48)46-13-17-53-18-14-46/h4-6,19-22,29,31,40H,3,7-18,23-24H2,1-2H3,(H,43,51)(H,41,42,44)/t29-,31-/m1/s1