Di-beta-lysyl capreomycin iia
Basic information
- CAS
74240-43-0- Standard SMILES
NCCCC(N)CC(=O)NCC1NC(=O)C(CO)NC(=O)C(NC(=O)CC(N)CCCN)CNC(=O)C(C2CCN=C(N)N2)NC(=O)/C(=C\NC(N)=O)NC1=O- InChIKey
NNHAOUAWUNAJJO-DEDYPNTBSA-N- Molecular formula
- C31H56N16O9
- Average molar mass
- 796.9 g/mol
- Monoisotopic mass
- 796.44161743
Overview
structure given in first source
Names & identifiers
- Preferred name
- Di-beta-lysyl capreomycin iia
- IUPAC
- 3,6-diamino-N-[[(8E)-11-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)-8-[(carbamoylamino)methylidene]-15-(3,6-diaminohexanoylamino)-2-(hydroxymethyl)-3,6,9,12,16-pentaoxo-1,4,7,10,13-pentazacyclohexadec-5-yl]methyl]hexanamide
- English name
- di-beta-lysyl capreomycin IIA
- Molecular formula
- C31H56N16O9
- Molecular weight
- 796.87814
Names & synonyms
DBLCADi-beta-lysyl capreomycin iia74240-43-0Capreomycin IA, 5-(L-2-((3,6-diamino-1-oxohexyl)amino)-beta-alanine)-, (S)-RefChem:132491
Database identifiers
- CAS
74240-43-0- PubChem CID
- 3034239
Properties
Computed structural properties
- XLogP
- -7.6
- Topological polar surface area
- 434 Ų
- Hydrogen bond donors
- 16
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 16
- Heavy atoms
- 56
- Formal charge
- 0
- Complexity
- 1,480
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…