Basic information
- Standard SMILES
C=CCN(N=O)C(=O)NCCC[C@H](NC(C)=O)C(=O)NCc1ccccc1- InChIKey
JARIZQCIPSZURJ-INIZCTEOSA-N- Molecular formula
- C18H25N5O4
- Average molar mass
- 375.4 g/mol
- Monoisotopic mass
- 375.1906543
Names & identifiers
- Preferred name
- (2S)-2-acetamido-5-[[allyl(nitroso)carbamoyl]amino]-N-benzyl-pentanamide
- IUPAC
- (2S)-2-acetamido-N-benzyl-5-[[nitroso(prop-2-enyl)carbamoyl]amino]pentanamide
Names & synonyms
MCS-675DTXSID701026165N2-Acetyl-N5-[allyl(nitroso)carbamoyl]-N-benzylornithinamide(2S)-2-acetamido-5-[[allyl(nitroso)carbamoyl]amino]-N-benzyl-pentanamideN-Benzyl-N^2-acetyl-N^5-[(N-nitrosoallylamino)carbonyl]-L-ornithinamide
Database identifiers
- PubChem CID
- 460428
- DTXSID
DTXSID701026165
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 520
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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