TAFI inhibitor
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Basic information
- CAS
607833-10-3- Standard SMILES
N=C(N)Nc1cccc(C(CS)C(=O)O)c1- InChIKey
YHBCRXAIIVZWEW-UHFFFAOYSA-N- Molecular formula
- C10H13N3O2S
- Average molar mass
- 239.3 g/mol
Overview
See also: 2-(3-Guanidinophenyl)-3-mercaptopropanoic acid (annotation moved to).
Names & identifiers
- Preferred name
- TAFI inhibitor
- IUPAC
- 2-[3-(diaminomethylideneamino)phenyl]-3-sulfanylpropanoic acid
- English name
- Benzeneacetic acid, 3-[(aMinoiMinoMethyl)aMino]-a-(MercaptoMethyl)-
- Molecular formula
- C10H13N3O2S
- Molecular weight
- 239.29
Names & synonyms
TAFI inhibitor607833-24-9CHEMBL245787607833-29-4Benzeneacetic acid, 3-[(aminoiminomethyl)amino]-alpha-(mercaptomethyl)-, (+)-Benzeneacetic acid, 3-[(aminoiminomethyl)amino]-alpha-(mercaptomethyl)-, (-)-SCHEMBL2349923BDBM50201427Benzeneacetic acid,3-[(aminoiminomethyl)amino]-a-(mercaptomethyl)-,(+)PD039438Benzeneacetic acid, 3-[(aminoiminomethyl)amino]--(mercaptomethyl)-, (+)-Benzeneacetic acid, 3-[(aminoiminomethyl)amino]--(mercaptomethyl)-, (-)-
Show more names
YHBCRXAIIVZWEW-UHFFFAOYSA-NBenzeneacetic acid, 3-[(aMinoiMinoMethyl)aMino]-a-(MercaptoMethyl)-
Database identifiers
- CAS
607833-10-3- ChEMBL
CHEMBL245787
Properties
Computed structural propertiesFilling in
- XLogP
- 0.2
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 279
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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