Basic information
- Standard SMILES
CNS(=O)(=O)Cc1ccc(CNC(=O)[C@@H](CCCNC(N)=N[N+](=O)[O-])NC(=O)C(c2ccccc2)c2ccccc2)cc1- InChIKey
JKRLABZTXXYMKM-RUZDIDTESA-N- Molecular formula
- C29H35N7O6S
- Average molar mass
- 609.7 g/mol
Names & identifiers
- Preferred name
- (R)-N5-[Amino(nitroimino)methyl]-N2-(diphenylacetyl)-N-[[4-(methylaminosulphonylmethyl)phenyl]methyl]-ornithinamide
- IUPAC
- (2R)-2-[(2,2-diphenylacetyl)amino]-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-5-[(N'-nitrocarbamimidoyl)amino]pentanamide
Names & synonyms
JKRLABZTXXYMKM-RUZDIDTESA-N(R)-N5 -[Amino(nitroimino)methyl]-N2 -(diphenylacetyl)-N- [[4-(methylaminosulphonylmethyl)phenyl]methyl]-ornithinamide
Database identifiers
- PubChem CID
- 136333683
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 209 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 15
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,010
Related reactions
1 records
Compound notes
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