Basic information
- CAS
65118-36-7- Standard SMILES
Nc1nc(N)c2nc(CNc3ccc(C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cnc2n1- InChIKey
HCNFBAQHFZWSOA-ZDUSSCGKSA-N- Molecular formula
- C21H23N9O6
- Average molar mass
- 497.5 g/mol
- Monoisotopic mass
- 497.17712949
Names & identifiers
- Preferred name
- Glutamic acid, N-(N-(p-(((2,4-diamino-6-pteridinyl)methyl)amino)benzoyl)glycyl)-, L-
- IUPAC
- (2S)-2-[[2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]acetyl]amino]pentanedioic acid
- English name
- N-(N-(4-(((2,4-Diamino-6-pteridinyl)methyl)amino)benzoyl)glycyl)-L-glu tamic acid
- Molecular formula
- C21H23N9O6
- Molecular weight
- 497.46
Names & synonyms
65118-36-7Glutamic acid, N-(N-(p-(((2,4-diamino-6-pteridinyl)methyl)amino)benzoyl)glycyl)-, L-N-(N-(4-(((2,4-Diamino-6-pteridinyl)methyl)amino)benzoyl)glycyl)-L-glutamic acidDTXSID70215427N-(N-(p-(((2,4-Diamino-6-pteridinyl)methyl)amino)benzoyl)glycyl)-L-glutamic acidL-Glutamic acid, N-(N-(4-(((2,4-diamino-6-pteridinyl)methyl)amino)benzoyl)glycyl)-RefChem:346141DTXCID70137918N-(4-{[(2,4-Diaminopteridin-6-yl)methyl]amino}benzoyl)glycyl-L-glutamic acidN-(N-{4-[(2,4-diamino-pteridin-6-ylmethyl)-amino]-benzoyl}-glycyl)-glutamic acidN-(N-(4-(((2,4-Diamino-6-pteridinyl)methyl)amino)benzoyl)glycyl)-L-glu tamic acidL-Glutamic acid, N-[N-[4-[[(2,4-diamino-6-pteridinyl)methyl]amino]benzoyl]glycyl]- (9CI)
Database identifiers
- CAS
65118-36-7- PubChem CID
- 3049677
- DTXSID
DTXSID70215427- Nikkaji
- J122.421B
Properties
Computed structural properties
- XLogP
- -2.6
- Topological polar surface area
- 248 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 11
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 794
Physicochemical properties
- Density
- 1.573 · 1.573±0.06 g/cm3(Predicted)
- pka
- 3.2 · 3.20±0.10(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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