diethyl (2S)-2-[[4-[2-[2-azanyl-7-[(3,4-dimethoxyphenyl)methyl]-4-oxidanylidene-1H-pyrrolo[2,3-d]pyrimidin-5-yl]ethyl]phenyl]carbonylamino]pentanedioate

Systemtic Name: diethyl (2S)-2-[[4-[2-[2-azanyl-7-[(3,4-dimethoxyphenyl)methyl]-4-oxidanylidene-1H-pyrrolo[2,3-d]pyrimidin-5-yl]ethyl]phenyl]carbonylamino]pentanedioate Openeye Name: diethyl (2S)-2-[[4-[2-[2-amino-7-[(3,4-dimethoxyphenyl)methyl]-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl]ethyl]benzoyl]amino]pentanedioate CAS Name: (2S)-2-[[[4-[2-[2-amino-7-[(3,4-dimethoxyphenyl)methyl]-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl]ethyl]phenyl]-oxomethyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl (2S)-2-[[4-[2-[2-amino-7-[(3,4-dimethoxyphenyl)methyl]-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl]ethyl]benzoyl]amino]pentanedioate Traditional Name: (2S)-2-[[4-[2-(2-amino-4-keto-7-veratryl-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]glutaric acid diethyl ester Formula: C33H39N5O8 MolecularWeight: 633.69146

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)CCC2=CN(C3=C2C(=O)N=C(N3)N)CC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCOC(=O)CC[C@@H](C(=O)OCC)NC(=O)C1=CC=C(C=C1)CCC2=CN(C3=C2C(=O)N=C(N3)N)CC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C33H39N5O8/c1-5-45-27(39)16-14-24(32(42)46-6-2)35-30(40)22-11-7-20(8-12-22)9-13-23-19-38(29-28(23)31(41)37-33(34)36-29)18-21-10-15-25(43-3)26(17-21)44-4/h7-8,10-12,15,17,19,24H,5-6,9,13-14,16,18H2,1-4H3,(H,35,40)(H3,34,36,37,41)/t24-/m0/s1