Basic information
- CAS
136676-90-9- Standard SMILES
Cc1cc(Cn2cnc3c2C[C@@H](C(=O)O)N(C(=O)C(c2ccccc2)c2ccccc2)C3)ccc1N- InChIKey
KLVDUSUYBDMJKR-SANMLTNESA-N- Molecular formula
- C29H28N4O3
- Average molar mass
- 480.6 g/mol
- Monoisotopic mass
- 480.21614077
Names & identifiers
- Preferred name
- 1-(4-Amino-3-methyl-benzyl)-5-diphenylacetyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
- IUPAC
- (6S)-1-[(4-amino-3-methylphenyl)methyl]-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
Names & synonyms
CHEMBL292277PD123177EXP655SCHEMBL9132716DTXSID501018019BDBM50010361SDCCGSBI-0633692.P001NCGC00162092-01NCGC00162092-02NCGC00162092-041-(4-Amino-3-methyl-benzyl)-5-diphenylacetyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid136676-90-9
Show more names
PD070311(6S)-1-(4-Amino-3-methylbenzyl)-5-(diphenylacetyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid(6S)-1-[(4-Amino-3-methylphenyl)methyl]-5-(diphenylacetyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid(S)-1-(4-Amino-3-methyl-benzyl)-5-diphenylacetyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid1-(4-amino-2-methylbenzyl)-5-diphenylcarbamoyl-(6S)-4,5,6,7-tetrahydro-1H-imidazo[5,4-c]pyridine-6-carboxylic acid
Database identifiers
- CAS
136676-90-9- PubChem CID
- 5311348
- DTXSID
DTXSID501018019- ChEMBL
CHEMBL292277- Nikkaji
- J449.506C
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 748
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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