3-({5-Oxo-1-(3-(1,3-thiazolin-2-ylamino)phenyl)pyrrolidin-3-yl}carbonylamino)-3-(3-pyridyl)propanoic acid
Basic information
- Standard SMILES
O=C(O)CC(NC(=O)C1CC(=O)N(c2cccc(NC3=NCCS3)c2)C1)c1cccnc1- InChIKey
GHQJBMQVBJIUCG-UHFFFAOYSA-N- Molecular formula
- C22H23N5O4S
- Average molar mass
- 453.5 g/mol
Names & identifiers
- Preferred name
- 3-({5-Oxo-1-(3-(1,3-thiazolin-2-ylamino)phenyl)pyrrolidin-3-yl}carbonylamino)-3-(3-pyridyl)propanoic acid
- IUPAC
- 3-[[1-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]-5-oxopyrrolidine-3-carbonyl]amino]-3-pyridin-3-ylpropanoic acid
Names & synonyms
SCHEMBL6348923GHQJBMQVBJIUCG-UHFFFAOYSA-N3-({5-oxo-1-(3-(1,3-thiazolin-2-ylamino) phenyl)pyrrolidin-3-yl}carbonylamino)-3-(3-pyridyl) propanoic acid3-({5-oxo-1-(3-(1,3-thiazolin-2-ylamino)phenyl)pyrrolidin-3-yl}carbonylamino)-3-(3-pyridyl)propanoic acid
Database identifiers
- PubChem CID
- 12135083
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 748
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Related reactions
1 records
Compound notes
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