Basic information
- CAS
332185-13-4- Standard SMILES
O=C(O)C[C@H](NC(=O)C1CCN(C(=O)CCCNC2=NCCN2)CC1)c1cnc2ccccc2c1- InChIKey
AQAUYHNXROATLO-NRFANRHFSA-N- Molecular formula
- C25H32N6O4
- Average molar mass
- 480.6 g/mol
- Monoisotopic mass
- 480.24850352
Names & identifiers
- Preferred name
- (S)-3-({1-[4-(4,5-Dihydro-1H-imidazol-2-ylamino)-butyryl]-piperidine-4-carbonyl}-amino)-3-quinolin-3-yl-propionic acid
- IUPAC
- (3S)-3-[[1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)butanoyl]piperidine-4-carbonyl]amino]-3-quinolin-3-ylpropanoic acid
Names & synonyms
CHEMBL188123SCHEMBL3534624DTXSID801105029BDBM50155811(S)-3-({1-[4-(4,5-Dihydro-1H-imidazol-2-ylamino)-butyryl]-piperidine-4-carbonyl}-amino)-3-quinolin-3-yl-propionic acid332185-13-4(I(2)S)-I(2)-[[[1-[4-[(4,5-Dihydro-1H-imidazol-2-yl)amino]-1-oxobutyl]-4-piperidinyl]carbonyl]amino]-3-quinolinepropanoic acid
Database identifiers
- CAS
332185-13-4- PubChem CID
- 9956830
- DTXSID
DTXSID801105029- ChEMBL
CHEMBL188123
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 782
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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