Basic information
- CAS
410078-23-8- Standard SMILES
CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CN)C(=O)O- InChIKey
UHJNDJQZOXVXLN-UTHITJIJSA-N- Molecular formula
- C34H67N13O9
- Average molar mass
- 802 g/mol
- Monoisotopic mass
- 801.51847077
Names & identifiers
- Preferred name
- Glycyl-L-lysyl-L-lysyl-N~5~-(diaminomethylidene)-L-ornithyl-L-seryl-L-lysyl-L-valine
- IUPAC
- (2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[(2-aminoacetyl)amino]hexanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-3-methylbutanoic acid
Names & synonyms
410078-23-8DTXSID20785660Glycyl-L-lysyl-L-lysyl-N~5~-(diaminomethylidene)-L-ornithyl-L-seryl-L-lysyl-L-valine
Database identifiers
- CAS
410078-23-8- PubChem CID
- 71362018
- DTXSID
DTXSID20785660
Properties
Computed structural properties
- XLogP
- -6.9
- Topological polar surface area
- 401 Ų
- Hydrogen bond donors
- 14
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 31
- Heavy atoms
- 56
- Formal charge
- 0
- Complexity
- 1,270
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…