Basic information
- CAS
63589-93-5- Standard SMILES
CCC(C)C(NC(=O)[C@H](N)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)Nc1ccc([N+](=O)[O-])cc1- InChIKey
GQAAGJRJCUHPEZ-GLKKMWKASA-N- Molecular formula
- C23H38N6O5
- Average molar mass
- 478.6 g/mol
- Monoisotopic mass
- 478.29036833
Overview
chromogenic substrate of plasmin; H-D-Val-Leu-Lys- 4-nitroaniline
Names & identifiers
- Preferred name
- Valyl-leucyl-lysine 4-nitroanilide
- IUPAC
- (2S)-6-amino-2-[[2-[[(2R)-2-amino-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-N-(4-nitrophenyl)hexanamide
- English name
- valyl-leucyl-lysine 4-nitroanilide
- Molecular formula
- C23H38N6O5
- Molecular weight
- 478.59
Names & synonyms
RefChem:93391563589-93-5L-Lysinamide, D-valyl-L-leucyl-N-(4-nitrophenyl)-L-Lysinamide, D-valyl-L-leucyl-N-(4-nitrophenyl)-, dihydrochlorideS 2251Val-leu-lys 4-nitroanilideValyl-leucyl-lysine 4-nitroanilideH-D-Val-Leu-Lys-pNASCHEMBL30037909DTXSID00979808BDBM2330142-[(2-Amino-1-hydroxy-3-methylbutylidene)amino]-N-[6-amino-1-(4-nitroanilino)-1-oxohexan-2-yl]-3-methylpentanimidic acid
Show more names
2-{[(2R)-2-Amino-1-hydroxy-3-methylbutylidene]amino}-N-[(2S)-6-amino-1-(4-nitroanilino)-1-oxohexan-2-yl]-3-methylpentanimidic acid
Database identifiers
- CAS
63589-93-5- PubChem CID
- 124997
- DTXSID
DTXSID00979808
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 185 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 13
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 675
Physicochemical properties
- Boiling point
- 778.3 · 778.3±60.0 °C(Predicted)
- Density
- 1.187 · 1.187±0.06 g/cm3(Predicted)
- solubility
- Water: Soluble
- pka
- 12.43 · 12.43±0.70(Predicted)
- FDA UNII
- 826 B3J9M · BP826B3J9M
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Colorless, endogenous or exogenous pigment precursors that may be transformed by biological mechanisms into colored compounds; used in biochemical assays and in diagnosis as indicators, especially in the form of enzyme substrates. Synonym: chromogens (not to be confused with pigment-synthesizing bacteria also called chromogens).
Applications
UsesD-Val-Leu-Lys-pNA (S-2251) is widely used as a plasmin specific peptidic substrate in biochemical studies[1].
Suppliers3 total
杭州思诺达医药科技有限责任公司0571-87213919 17306812703 · [email protected]
杭州肽佳生物科技有限公司0571-87213919 15967184799 · [email protected]
江西研肽生物医药科技有限公司13758194781; 13758194781 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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