Diethyl 2-[[4-[(6,8-diacetamidopyrido[2,3-b]pyrazin-2-yl)methyl-methylamino]benzoyl]amino]pentanedioate
Basic information
- CAS
30826-47-2- Standard SMILES
CCOC(=O)CCC(NC(=O)c1ccc(N(C)Cc2cnc3nc(NC(C)=O)cc(NC(C)=O)c3n2)cc1)C(=O)OCC- InChIKey
LNLBRTNRDASJJQ-UHFFFAOYSA-N- Molecular formula
- C29H35N7O7
- Average molar mass
- 593.6 g/mol
- Monoisotopic mass
- 593.25979648
Names & identifiers
- Preferred name
- Diethyl 2-[[4-[(6,8-diacetamidopyrido[2,3-b]pyrazin-2-yl)methyl-methylamino]benzoyl]amino]pentanedioate
- IUPAC
- diethyl 2-[[4-[(6,8-diacetamidopyrido[2,3-b]pyrazin-2-yl)methyl-methylamino]benzoyl]amino]pentanedioate
- English name
- 2-Glutamic Acid-N-[4-Methylamino Benzoyl]-Diethyl Ester
- Molecular formula
- C29H35N7O7
- Molecular weight
- 593.63
Names & synonyms
30826-47-2diethyl n-{4-[{[6,8-bis(acetylamino)pyrido[2,3-b]pyrazin-2-yl]methyl}(methyl)amino]benzoyl}glutamateNSC142035diethyl 2-[[4-[(6,8-diacetamidopyrido[2,3-b]pyrazin-2-yl)methyl-methylamino]benzoyl]amino]pentanedioate2-GLUTAMIC ACID-N-[4-METHYLAMINO BENZOYL]-DIETHYL ESTERSCHEMBL14027450DTXSID50301251ZINC05053164NSC-142035Diethyl N-(4-{[(6,8-diacetamidopyrido[2,3-b]pyrazin-2-yl)methyl](methyl)amino}benzoyl)glutamateL-Glutamic acid, N-[4-[[[6,8-bis(acetylamino)pyrido[2,3-b]pyrazin-2-yl]methyl]methylamino]benzoyl]-, diethyl ester (9CI)
Database identifiers
- CAS
30826-47-2- PubChem CID
- 285241
- DTXSID
DTXSID50301251
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 182 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 15
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 975
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Compound notes
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