Nco 700
Basic information
- CAS
84579-82-8- Standard SMILES
CCOC(=O)[C@@H]1O[C@H]1C(=O)NC(CC(C)C)C(=O)N1CCN(Cc2ccc(OC)c(OC)c2OC)CC1.CCOC(=O)[C@@H]1O[C@H]1C(=O)NC(CC(C)C)C(=O)N1CCN(Cc2ccc(OC)c(OC)c2OC)CC1.O=S(=O)(O)O- InChIKey
AWNIEFSZNNQBRL-ZCNUETMSSA-N- Molecular formula
- C52H80N6O20S
- Average molar mass
- 1,141.3 g/mol
- Monoisotopic mass
- 1,140.51481014
Overview
synthetic inhibitor of calcium-activated protease; structure given in first source
Names & identifiers
- Preferred name
- Nco 700
- IUPAC
- bis(ethyl (2R,3R)-3-[[4-methyl-1-oxo-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]pentan-2-yl]carbamoyl]oxirane-2-carboxylate);sulfuric acid
- English name
- NCO 700
- Molecular formula
- C26H41N3O12S
- Molecular weight
- 619.68
Names & synonyms
Nco 70084579-82-8NCO-700RefChem:164924Oxiranecarboxylic acid, 3-(((3-methyl-1-((4-((2,3,4-trimethoxyphenyl)methyl)-1-piperazinyl)carbonyl)butyl)amino)carbonyl)-, ethyl ester, (2R-(2-alpha,3-beta(S*)))-, sulfate (2:1)ethyl (2R,3R)-3-[[4-methyl-1-oxo-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]pentan-2-yl]carbamoyl]oxirane-2-carboxylate;sulfuric acidBis(ethyl-3-(3-methyl-1-(4-(2,3,4-trimethoxyphenylmethyl)piperazin-1-ylcarbonyl)butylcarbamoyl)oxiran-2-carboxylate)Oxiranecarboxylic acid, 3-(((3-methyl-1-((4-((2,3,4-trimethoxyphenyl)methyl)-1-piperazinyl)carbonyl)butyl)amino)carbonyl)-, ethyl ester, (2R-(2alpha,3beta(S*)))-, sulfate (2:1)
Database identifiers
- CAS
84579-82-8- PubChem CID
- 158447
Properties
Computed structural properties
- Topological polar surface area
- 321 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 22
- Rotatable bonds
- 26
- Heavy atoms
- 79
- Formal charge
- 0
- Complexity
- 854
Chemistry & industry
Applications
DescriptionNco 700 is a synthetic inhibitor of calcium-activated protease.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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