diethyl (2S)-2-[7-[2-[2-(2,2-dimethylpropanoylamino)-4-oxidanylidene-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidin-6-yl]ethyl]-3-oxidanylidene-1H-isoindol-2-yl]pentanedioate

Systemtic Name: diethyl (2S)-2-[7-[2-[2-(2,2-dimethylpropanoylamino)-4-oxidanylidene-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidin-6-yl]ethyl]-3-oxidanylidene-1H-isoindol-2-yl]pentanedioate Openeye Name: diethyl (2S)-2-[4-[2-[2-(2,2-dimethylpropanoylamino)-4-oxo-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidin-6-yl]ethyl]-1-oxo-isoindolin-2-yl]pentanedioate CAS Name: (2S)-2-[7-[2-[2-[(2,2-dimethyl-1-oxopropyl)amino]-4-oxo-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidin-6-yl]ethyl]-3-oxo-1H-isoindol-2-yl]pentanedioic acid diethyl ester IUPAC Name: diethyl (2S)-2-[7-[2-[2-(2,2-dimethylpropanoylamino)-4-oxo-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidin-6-yl]ethyl]-3-oxo-1H-isoindol-2-yl]pentanedioate Traditional Name: (2S)-2-[1-keto-4-[2-[4-keto-2-(pivaloylamino)-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidin-6-yl]ethyl]isoindolin-2-yl]glutaric acid diethyl ester Formula: C31H41N5O7 MolecularWeight: 595.68654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)OCC)N1CC2=C(C1=O)C=CC=C2CCC3CC4=C(NC3)NC(=NC4=O)NC(=O)C(C)(C)C

Isomeric SMILES

CCOC(=O)CC[C@@H](C(=O)OCC)N1CC2=C(C1=O)C=CC=C2CCC3CC4=C(NC3)NC(=NC4=O)NC(=O)C(C)(C)C

InChI

InChI=1S/C31H41N5O7/c1-6-42-24(37)14-13-23(28(40)43-7-2)36-17-22-19(9-8-10-20(22)27(36)39)12-11-18-15-21-25(32-16-18)33-30(34-26(21)38)35-29(41)31(3,4)5/h8-10,18,23H,6-7,11-17H2,1-5H3,(H3,32,33,34,35,38,41)/t18?,23-/m0/s1