Basic information
- Standard SMILES
O=C(N[C@@H](CCCNC1CCCc2cccnc21)C(=O)O)c1ccc(CNCc2ccccn2)s1- InChIKey
FFJJSWFAPRPJEB-KEKNWZKVSA-N- Molecular formula
- C26H31N5O3S
- Average molar mass
- 493.6 g/mol
Names & identifiers
- Preferred name
- (2S)-2-(5-(N-2-picolylaminomethyl)thiophene-2-carbonylamino)-5-(5,6,7,8-tetrahydroquinolin-8-ylamino)valeric Acid
- IUPAC
- (2S)-2-[[5-[(pyridin-2-ylmethylamino)methyl]thiophene-2-carbonyl]amino]-5-(5,6,7,8-tetrahydroquinolin-8-ylamino)pentanoic acid
Names & synonyms
FFJJSWFAPRPJEB-KEKNWZKVSA-N(2S)-2-(5-(N-2-picolylaminomethyl)thiophene-2-carbonylamino)-5-(5,6,7,8-tetrahydroquinolin-8-ylamino)valeric Acid
Database identifiers
- PubChem CID
- 69638609
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 12
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 683
Related reactions
1 records
Compound notes
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