Basic information
- CAS
71177-43-0- Standard SMILES
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)NCC(=O)O)cc1- InChIKey
CKMCOABGVRYEOR-UHFFFAOYSA-N- Molecular formula
- C22H25N9O6
- Average molar mass
- 511.5 g/mol
- Monoisotopic mass
- 511.19277955
Names & identifiers
- Preferred name
- 5-(Carboxymethylamino)-4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-oxopentanoic acid
- IUPAC
- 5-(carboxymethylamino)-4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-oxopentanoic acid
Names & synonyms
CHEMBL5503071177-43-0NSC2979015-(carboxymethylamino)-4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-oxopentanoic acidDTXSID40315862BDBM50028537NSC-297901Glycine,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-L-.alpha.-glutamyl]-N-(4-{[(2,4-Diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)-alpha-glutamylglycine4-(Carboxymethyl-carbamoyl)-4-{4-[(2,4-diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-butyric acid
Database identifiers
- CAS
71177-43-0- PubChem CID
- 326464
- DTXSID
DTXSID40315862- ChEMBL
CHEMBL55030
Properties
Computed structural properties
- XLogP
- -2.5
- Topological polar surface area
- 240 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 11
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 824
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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