Completing data — usually done within a minute
Basic information
- CAS
100845-83-8- Standard SMILES
O=C(O)CCNC(=O)C(CS)Cc1ccccc1- InChIKey
ZCTDTVUDURCGFX-UHFFFAOYSA-N- Molecular formula
- C13H17NO3S
- Average molar mass
- 267.35 g/mol
Overview
a selective neutral endopeptidase inhibitor
Names & identifiers
- Preferred name
- SQ 28603
- IUPAC
- 3-[(2-benzyl-3-sulfanylpropanoyl)amino]propanoic acid
Names & synonyms
100845-83-8SQ 28603SQ-28603SQ 28,603beta-Alanine, N-(2-(mercaptomethyl)-1-oxo-3-phenylpropyl)-RefChem:185108SQ286033-[(2-benzyl-3-sulfanylpropanoyl)amino]propanoic acidCHEMBL196902SQ28,603;Squibb 28603SCHEMBL389731orb1708469
Show more names
DTXSID60905805ZCTDTVUDURCGFX-UHFFFAOYSA-NBDBM50175499HY-U00171AKOS040739020CS-7234DA-67736T12994
Database identifiers
- CAS
100845-83-8- PubChem CID
- 123742
- DTXSID
DTXSID60905805- ChEMBL
CHEMBL196902- Nikkaji
- J387.545H
Properties
Computed structural propertiesFilling in
- XLogP
- 1.3
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 277
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationCompounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
Suppliers6 total
MedChemexpress LLC021-58955995 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
BOC Sciences[email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
1 records
Compound notes
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