SQ 29072
Basic information
- CAS
122222-44-0- Standard SMILES
O=C(O)CCCCCCNC(=O)C(CS)Cc1ccccc1- InChIKey
KJVKOEVEFLXJES-UHFFFAOYSA-N- Molecular formula
- C17H25NO3S
- Average molar mass
- 323.5 g/mol
- Monoisotopic mass
- 323.15551483
Overview
neutral endopeptidase inhibitor
Names & identifiers
- Preferred name
- SQ 29072
- IUPAC
- 7-[(2-benzyl-3-sulfanylpropanoyl)amino]heptanoic acid
Names & synonyms
122222-44-0SQ 29072SQ-29072SQ 29,072Heptanoic acid, 7-((2-(mercaptomethyl)-1-oxo-3-phenylpropyl)amino)-RefChem:185111CHEMBL3285197-[(2-benzyl-3-sulfanylpropanoyl)amino]heptanoic acidSCHEMBL387085DTXSID809241197-((2-(Mercaptomethyl)-1-oxo-3-phenylpropyl)amino)heptanoic acidBDBM50283607
Show more names
7-(2-Mercaptomethyl-3-phenyl-propionylamino)-heptanoic acid7-{[1-Hydroxy-3-phenyl-2-(sulfanylmethyl)propylidene]amino}heptanoic acid
Database identifiers
- CAS
122222-44-0- PubChem CID
- 129608
- DTXSID
DTXSID80924119- ChEMBL
CHEMBL328519- Nikkaji
- J386.642D
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 330
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Related reactions
1 records
Compound notes
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