dimethyl (2S)-2-[[3-[2-[2-(2,2-dimethylpropanoylamino)-4-oxidanylidene-1H-pyrido[2,3-d]pyrimidin-6-yl]ethynyl]-4,5,6,7-tetrahydro-2-benzofuran-1-yl]carbonylamino]pentanedioate

Systemtic Name: dimethyl (2S)-2-[[3-[2-[2-(2,2-dimethylpropanoylamino)-4-oxidanylidene-1H-pyrido[2,3-d]pyrimidin-6-yl]ethynyl]-4,5,6,7-tetrahydro-2-benzofuran-1-yl]carbonylamino]pentanedioate Openeye Name: dimethyl (2S)-2-[[3-[2-[2-(2,2-dimethylpropanoylamino)-4-oxo-1H-pyrido[2,3-d]pyrimidin-6-yl]ethynyl]-4,5,6,7-tetrahydroisobenzofuran-1-carbonyl]amino]pentanedioate CAS Name: (2S)-2-[[[3-[2-[2-[(2,2-dimethyl-1-oxopropyl)amino]-4-oxo-1H-pyrido[2,3-d]pyrimidin-6-yl]ethynyl]-4,5,6,7-tetrahydroisobenzofuran-1-yl]-oxomethyl]amino]pentanedioic acid dimethyl ester IUPAC Name: dimethyl (2S)-2-[[3-[2-[2-(2,2-dimethylpropanoylamino)-4-oxo-1H-pyrido[2,3-d]pyrimidin-6-yl]ethynyl]-4,5,6,7-tetrahydro-2-benzofuran-1-carbonyl]amino]pentanedioate Traditional Name: (2S)-2-[[3-[2-[4-keto-2-(pivaloylamino)-1H-pyrido[2,3-d]pyrimidin-6-yl]ethynyl]-4,5,6,7-tetrahydroisobenzofuran-1-carbonyl]amino]glutaric acid dimethyl ester Formula: C30H33N5O8 MolecularWeight: 591.61172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=NC(=O)C2=C(N1)N=CC(=C2)C#CC3=C4CCCCC4=C(O3)C(=O)NC(CCC(=O)OC)C(=O)OC

Isomeric SMILES

CC(C)(C)C(=O)NC1=NC(=O)C2=C(N1)N=CC(=C2)C#CC3=C4CCCCC4=C(O3)C(=O)N[C@@H](CCC(=O)OC)C(=O)OC

InChI

InChI=1S/C30H33N5O8/c1-30(2,3)28(40)35-29-33-24-19(25(37)34-29)14-16(15-31-24)10-12-21-17-8-6-7-9-18(17)23(43-21)26(38)32-20(27(39)42-5)11-13-22(36)41-4/h14-15,20H,6-9,11,13H2,1-5H3,(H,32,38)(H2,31,33,34,35,37,40)/t20-/m0/s1