diethyl (2S)-2-[[1-[2-[2,4-bis(azanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl]ethyl]indol-5-yl]carbonylamino]pentanedioate

Systemtic Name: diethyl (2S)-2-[[1-[2-[2,4-bis(azanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl]ethyl]indol-5-yl]carbonylamino]pentanedioate Openeye Name: diethyl (2S)-2-[[1-[2-(2,4-diamino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl)ethyl]indole-5-carbonyl]amino]pentanedioate CAS Name: (2S)-2-[[[1-[2-(2,4-diamino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl)ethyl]-5-indolyl]-oxomethyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl (2S)-2-[[1-[2-(2,4-diamino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl)ethyl]indole-5-carbonyl]amino]pentanedioate Traditional Name: (2S)-2-[[1-[2-(2,4-diamino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl)ethyl]indole-5-carbonyl]amino]glutaric acid diethyl ester Formula: C27H34N6O5 MolecularWeight: 522.59606

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC2=C(C=C1)N(C=C2)CCC3CCC4=C3C(=NC(=N4)N)N

Isomeric SMILES

CCOC(=O)CC[C@@H](C(=O)OCC)NC(=O)C1=CC2=C(C=C1)N(C=C2)CCC3CCC4=C3C(=NC(=N4)N)N

InChI

InChI=1S/C27H34N6O5/c1-3-37-22(34)10-8-20(26(36)38-4-2)30-25(35)18-6-9-21-17(15-18)12-14-33(21)13-11-16-5-7-19-23(16)24(28)32-27(29)31-19/h6,9,12,14-16,20H,3-5,7-8,10-11,13H2,1-2H3,(H,30,35)(H4,28,29,31,32)/t16?,20-/m0/s1