Basic information
- CAS
193809-84-6- Standard SMILES
O=C(O)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(-c2nnn(-c3ccccc3)n2)cc1- InChIKey
NLABJQQLMHAJIL-JOCHJYFZSA-N- Molecular formula
- C24H20N6O4S
- Average molar mass
- 488.5 g/mol
- Monoisotopic mass
- 488.12667431
Names & identifiers
- Preferred name
- Mmi-166
- IUPAC
- (2R)-3-(1H-indol-3-yl)-2-[[4-(2-phenyltetrazol-5-yl)phenyl]sulfonylamino]propanoic acid
Names & synonyms
MMI-166CDL03A411T193809-84-6(-)-MMI-166D-Tryptophan, N-((4-(2-phenyl-2H-tetrazol-5-yl)phenyl)sulfonyl)-RefChem:926006MMI166MMI 166UNII-CDL03A411TCHEMBL345597orb1739429SCHEMBL9243004
Show more names
SCHEMBL29463360DTXSID40432109BDBM50063150Q27275416N-[4-(2-Phenyl-2H-tetrazol-5-yl)benzene-1-sulfonyl]-D-tryptophan(R)-3-(1H-Indol-3-yl)-2-[4-(2-phenyl-2H-tetrazol-5-yl)-benzenesulfonylamino]-propionic acid
Database identifiers
- CAS
193809-84-6- PubChem CID
- 9870100
- DTXSID
DTXSID40432109- ChEMBL
CHEMBL345597- UNII
- CDL03A411T
- Nikkaji
- J2.132.802B
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 824
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationCompounds that inhibit the enzyme activity or activation of MATRIX METALLOPROTEINASES.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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