Basic information
- CAS
156368-88-6- Standard SMILES
CC1OC(c2ccccc2O)=NC1C(=O)NCCCN(CCCNC(=O)c1cccc(O)c1O)C(=O)[C@H]1N=C(c2ccccc2O)O[C@@H]1C- InChIKey
CYQRDZPBFHTFJZ-SKZNYKRCSA-N- Molecular formula
- C35H39N5O9
- Average molar mass
- 673.7 g/mol
- Monoisotopic mass
- 673.27477784
Names & identifiers
- Preferred name
- N-(3-(2,3-Dihydroxybenzamido)propyl)-1,3-bis(2-(2-hydroxyphenyl)-5-methyl-2-oxazoline-4-carboxamido)propane
- IUPAC
- N-[3-[3-[(2,3-dihydroxybenzoyl)amino]propyl-[(4S,5R)-2-(2-hydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carbonyl]amino]propyl]-2-(2-hydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide
- English name
- vulnibactin
- Molecular formula
- C35H39N5O9
- Molecular weight
- 673.71
Names & synonyms
N-[3-[3-[(2,3-Dihydroxybenzoyl)amino]propyl-[(4S,5R)-2-(2-hydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carbonyl]amino]propyl]-2-(2-hydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamideN-(3-(2,3-Dihydroxybenzamido)propyl)-1,3-bis(2-(2-hydroxyphenyl)-5-methyl-2-oxazoline-4-carboxamido)propane4-Oxazolecarboxamide, N-(3-(((4,5-dihydro-2-(2-hydroxyphenyl)-5-methyl-4-oxazolyl)carbonyl)amino)propyl)-N-(3-((2,3-dihydroxybenzoyl)amino)propyl)-4,5-dihydro-2-(2-hydroxyphenyl)-5-methyl-, (4S-(4alpha(4R*,5S*),5beta))-vulnibactin4-Oxazolecarboxamide, N-[3-[[[(4S,5R)-4,5-dihydro-2-(2-hydroxyphenyl)-5-methyl-4-oxazolyl]carbonyl]amino]propyl]-N-[3-[(2,3-dihydroxybenzoyl)amino]propyl]-4,5-dihydro-2-(2-hydroxyphenyl)-5-methyl-, (4S,5R)-
Database identifiers
- CAS
156368-88-6- PubChem CID
- 133010
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 203 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 13
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 1,220
Chemistry & industry
Applications
DescriptionVulnibactin, isolated from Vibrio vulnificus, is a catechol-siderophore that is required for iron-assimilation from transferrin.
Suppliers1 total
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…