Basic information
- Standard SMILES
CC(C)CC(NC(=O)C1CCCN1C(=O)CNC(=O)c1ccc(N)cc1)C(=O)NC(C)C(=O)NO- InChIKey
WWHUHFFMOPIVKB-UHFFFAOYSA-N- Molecular formula
- C23H34N6O6
- Average molar mass
- 490.6 g/mol
- Monoisotopic mass
- 490.25398281
Names & identifiers
- Preferred name
- MMP Inhibitor I
- IUPAC
- 1-[2-[(4-aminobenzoyl)amino]acetyl]-N-[1-[[1-(hydroxyamino)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
Names & synonyms
MMP Inhibitor I124168-73-64-Abz-Gly-Pro-D-Leu-D-Ala-NHOH4-Abz-Gly-Pro-D-Leu-D-Ala-NHOH trifluoroacetate salt(2R)-2-((2R)-2-((S)-1-(2-(4-Aminobenzamido)acetyl)pyrrolidine-2-carboxamido)-5-(hydroxyamino)-4-methyl-5-oxopentanamido)propanoic acidDTXSID402744404-Abz-Gly-Pro-D -Leu-D -Ala-NHOHFA111048MATRIX METALLOPROTEINASE-1 INHIBITORN-(4-Aminobenzoyl)glycylprolylleucyl-N-hydroxyalaninamidep-AMINOBENZOYL-GLY-PRO-D-LEU-D-ALA-HYDROXAMIC ACID
Database identifiers
- CAS
124168-73-6- PubChem CID
- 4648
- DTXSID
DTXSID40274440
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 183 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 782
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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