diethyl (2S)-2-[[4-[(2-acetamido-4-oxidanylidene-1H-pyrido[2,3-d]pyrimidin-6-yl)methylamino]phenyl]carbonylamino]pentanedioate

Systemtic Name: diethyl (2S)-2-[[4-[(2-acetamido-4-oxidanylidene-1H-pyrido[2,3-d]pyrimidin-6-yl)methylamino]phenyl]carbonylamino]pentanedioate Openeye Name: diethyl (2S)-2-[[4-[(2-acetamido-4-oxo-1H-pyrido[2,3-d]pyrimidin-6-yl)methylamino]benzoyl]amino]pentanedioate CAS Name: (2S)-2-[[[4-[(2-acetamido-4-oxo-1H-pyrido[2,3-d]pyrimidin-6-yl)methylamino]phenyl]-oxomethyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl (2S)-2-[[4-[(2-acetamido-4-oxo-1H-pyrido[2,3-d]pyrimidin-6-yl)methylamino]benzoyl]amino]pentanedioate Traditional Name: (2S)-2-[[4-[(2-acetamido-4-keto-1H-pyrido[2,3-d]pyrimidin-6-yl)methylamino]benzoyl]amino]glutaric acid diethyl ester Formula: C26H30N6O7 MolecularWeight: 538.5524

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)NCC2=CN=C3C(=C2)C(=O)N=C(N3)NC(=O)C

Isomeric SMILES

CCOC(=O)CC[C@@H](C(=O)OCC)NC(=O)C1=CC=C(C=C1)NCC2=CN=C3C(=C2)C(=O)N=C(N3)NC(=O)C

InChI

InChI=1S/C26H30N6O7/c1-4-38-21(34)11-10-20(25(37)39-5-2)30-23(35)17-6-8-18(9-7-17)27-13-16-12-19-22(28-14-16)31-26(29-15(3)33)32-24(19)36/h6-9,12,14,20,27H,4-5,10-11,13H2,1-3H3,(H,30,35)(H2,28,29,31,32,33,36)/t20-/m0/s1