Basic information
- CAS
68352-99-8- Standard SMILES
CN(CC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1- InChIKey
HWJCYHPMIBUFQF-HNNXBMFYSA-N- Molecular formula
- C23H27N9O6
- Average molar mass
- 525.5 g/mol
- Monoisotopic mass
- 525.20842962
Names & identifiers
- Preferred name
- Glutamic acid, N-(N-(p-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)sarcosyl)-, L-
- IUPAC
- (2S)-2-[[2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]-methylamino]acetyl]amino]pentanedioic acid
Names & synonyms
Glutamic acid, N-(N-(p-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)sarcosyl)-, L-N-(N-(p-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)benzoyl)sarcosyl)-L-glutamic acid68352-99-8DTXSID50218491N-(N-(4-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)benzoyl)-N-methylglycyl)-L-glutamic acidL-Glutamic acid, N-(N-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-N-methylglycyl)-RefChem:346146DTXCID70140982N-(4-{[(2,4-Diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)-N-methylglycyl-L-glutamic acid
Database identifiers
- CAS
68352-99-8- PubChem CID
- 3052045
- DTXSID
DTXSID50218491- Nikkaji
- J122.430A
Properties
Computed structural properties
- XLogP
- -2.3
- Topological polar surface area
- 231 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 11
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 855
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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