N-Acetyl-2-methylalanyl-L-lysyl-L-lysyl-N~5~-(diaminomethylidene)-N-(4-nitrophenyl)-L-ornithinamide
Basic information
- CAS
922715-14-8- Standard SMILES
CC(=O)NC(C)(C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)Nc1ccc([N+](=O)[O-])cc1- InChIKey
QQJIVNLOOHZJRW-HJOGWXRNSA-N- Molecular formula
- C30H51N11O7
- Average molar mass
- 677.8 g/mol
- Monoisotopic mass
- 677.39729301
Names & identifiers
- Preferred name
- N-Acetyl-2-methylalanyl-L-lysyl-L-lysyl-N~5~-(diaminomethylidene)-N-(4-nitrophenyl)-L-ornithinamide
- IUPAC
- (2S)-2-[[(2S)-2-[(2-acetamido-2-methylpropanoyl)amino]-6-aminohexanoyl]amino]-6-amino-N-[(2S)-5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]hexanamide
Names & synonyms
922715-14-8DTXSID90854771N-Acetyl-2-methylalanyl-L-lysyl-L-lysyl-N~5~-(diaminomethylidene)-N-(4-nitrophenyl)-L-ornithinamide
Database identifiers
- CAS
922715-14-8- PubChem CID
- 71446277
- DTXSID
DTXSID90854771
Properties
Computed structural properties
- XLogP
- -1.6
- Topological polar surface area
- 308 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 21
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,100
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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