Basic information
- CAS
140667-42-1- Standard SMILES
CCCCCC(CC(=O)N[O-])C(=O)N1NCCCC1C(=O)NC(c1cc[n+]2n1CCCC2C(=O)O)C(C)CC- InChIKey
XRVWEWLMRRABGU-UHFFFAOYSA-N- Molecular formula
- C27H44N6O6
- Average molar mass
- 548.7 g/mol
- Monoisotopic mass
- 548.33223314
Names & identifiers
- Preferred name
- 1-[2-Methyl-1-[[2-[2-[2-(oxidoamino)-2-oxoethyl]heptanoyl]diazinane-3-carbonyl]amino]butyl]-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-4-ium-5-carboxylic acid
- IUPAC
- 1-[2-methyl-1-[[2-[2-[2-(oxidoamino)-2-oxoethyl]heptanoyl]diazinane-3-carbonyl]amino]butyl]-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-4-ium-5-carboxylic acid
- English name
- matlystatin F
- Molecular formula
- C27H44N6O6
- Molecular weight
- 548.681
Names & synonyms
1-[2-methyl-1-[[2-[2-[2-(oxidoamino)-2-oxoethyl]heptanoyl]diazinane-3-carbonyl]amino]butyl]-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-4-ium-5-carboxylic acidDTXSID00930898[(3-{6-[{[1-(5-Carboxy-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-9-ium-1-yl)-2-methylbutyl]imino}(hydroxy)methyl]-1,2-diazinane-1-carbonyl}-1-hydroxyoctylidene)amino]oxidanidematlystatin F
Database identifiers
- CAS
140667-42-1- PubChem CID
- 197441
- DTXSID
DTXSID00930898
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 160 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 13
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 859
Chemistry & industry
Suppliers2 total
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…