Basic information
- CAS
872545-06-7- Standard SMILES
NCCCC[C@H](N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O- InChIKey
FBRYFGPSEDJFJY-DUJSLOSMSA-N- Molecular formula
- C39H75N21O9
- Average molar mass
- 982.2 g/mol
- Monoisotopic mass
- 981.60566305
Names & identifiers
- Preferred name
- L-Lysyl-N~5~-(diaminomethylidene)-L-ornithyl-N~5~-(diaminomethylidene)-L-ornithyl-L-asparaginyl-L-prolyl-N~5~-(diaminomethylidene)-L-ornithyl-N~5~-(diaminomethylidene)-L-ornithine
- IUPAC
- (2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Names & synonyms
872545-06-7L-Lysyl-N~5~-(diaminomethylidene)-L-ornithyl-N~5~-(diaminomethylidene)-L-ornithyl-L-asparaginyl-L-prolyl-N~5~-(diaminomethylidene)-L-ornithyl-N~5~-(diaminomethylidene)-L-ornithineDTXSID30832856
Database identifiers
- CAS
872545-06-7- PubChem CID
- 71413331
- DTXSID
DTXSID30832856
Properties
Computed structural properties
- XLogP
- -12.3
- Topological polar surface area
- 556 Ų
- Hydrogen bond donors
- 17
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 34
- Heavy atoms
- 69
- Formal charge
- 0
- Complexity
- 1,830
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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