Basic information
- Standard SMILES
CC(NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCCN)NC(=O)C(N)CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)O)C(=O)O- InChIKey
OUKSKNTVYYVIMZ-UHFFFAOYSA-N- Molecular formula
- C38H74N18O10
- Average molar mass
- 943.1 g/mol
- Monoisotopic mass
- 942.58353063
Names & identifiers
- Preferred name
- PKG Inhibitor
- IUPAC
- 2-[[6-amino-2-[[2-[2-[[2-[[6-amino-2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoylamino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]pentanedioic acid
Names & synonyms
PKG InhibitorC38H74N18O10SCHEMBL7447936MFCD000800982-[[6-amino-2-[[2-[2-[[2-[[6-amino-2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoylamino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]pentanedioic acid2-[[6-amino-2-[[2-[2-[[2-[[6-amino-2-[(2-amino-5-guanidino-pentanoyl)amino]hexanoyl]amino]-5-guanidino-pentanoyl]amino]propanoylamino]-5-guanidino-pentanoyl]amino]hexanoyl]amino]pentanedioic acid
Database identifiers
- PubChem CID
- 2231
Properties
Computed structural properties
- XLogP
- -11.4
- Topological polar surface area
- 520 Ų
- Hydrogen bond donors
- 17
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 36
- Heavy atoms
- 66
- Formal charge
- 0
- Complexity
- 1,650
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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