Basic information
- Standard SMILES
CNC(=O)c1ccc(CNC(=O)[C@@H](CCCNC(N)=N[N+](=O)[O-])NC(=O)C(c2ccccc2)c2ccccc2)cc1- InChIKey
PEEJESWLERLOHF-XMMPIXPASA-N- Molecular formula
- C29H33N7O5
- Average molar mass
- 559.6 g/mol
Names & identifiers
- Preferred name
- (R)-N5-[Amino(nitroimino)methyl]-N2-(diphenylacetyl)-N-[[4-[(methylamino)carbonyl]-phenyl]methyl]-ornithinamide
- IUPAC
- 4-[[[(2R)-2-[(2,2-diphenylacetyl)amino]-5-[(N'-nitrocarbamimidoyl)amino]pentanoyl]amino]methyl]-N-methylbenzamide
Names & synonyms
PEEJESWLERLOHF-XMMPIXPASA-N(R)-N5 -[Amino(nitroimino)methyl]-N2 -(diphenylacetyl)-N-[[4-[(methylamino)carbonyl]-phenyl]methyl]-ornithinamide(R)-N5 -[Amino(nitroimino)methyl]-N2 -(diphenylacetyl)-N-[[4-[(methylamino)carbonyl]phenyl]methyl]-ornithinamide
Database identifiers
- PubChem CID
- 136381111
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 184 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 13
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 870
Related reactions
2 records
Compound notes
Loading…