peptidolipin NA
Basic information
- CAS
2132-55-0- Standard SMILES
CCCCCCCCCCCCCCCCCC1CC(=O)NC(C(C)O)C(=O)NC(C(C)C)C(=O)NC(C)C(=O)N2CCCC2C(=O)NC(C(C)CC)C(=O)NC(C)C(=O)NC(C(C)O)C(=O)O1- InChIKey
ISFFTEWJOFYRNG-UHFFFAOYSA-N- Molecular formula
- C50H89N7O11
- Average molar mass
- 964.3 g/mol
- Monoisotopic mass
- 963.66200668
Overview
from Nocardia asteroides; structure in first source
Names & identifiers
- Preferred name
- peptidolipin NA
- IUPAC
- 22-butan-2-yl-13-heptadecyl-9,16-bis(1-hydroxyethyl)-3,19-dimethyl-6-propan-2-yl-14-oxa-1,4,7,10,17,20,23-heptazabicyclo[23.3.0]octacosane-2,5,8,11,15,18,21,24-octone
- English name
- peptidolipin NA
- Molecular formula
- C50H89N7O11
- Molecular weight
- 964.28
Names & synonyms
Peptidolipin NA2132-55-0RefChem:171579SCHEMBL29884843DTXSID309438353-(Butan-2-yl)-12-heptadecyl-1,4,7,14,17,20-hexahydroxy-9,16-bis(1-hydroxyethyl)-6,22-dimethyl-19-(propan-2-yl)-6,9,13,16,19,22,25,26,27,27a-decahydropyrrolo[2,1-l][1,4,7,10,13,16,19,22]oxaheptaazacyclopentacosine-10,23(3H,12H)-dionePeptidolipin NA (9CI)
Database identifiers
- CAS
2132-55-0- PubChem CID
- 193341
- DTXSID
DTXSID30943835
Properties
Computed structural properties
- XLogP
- 9.4
- Topological polar surface area
- 262 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 21
- Heavy atoms
- 68
- Formal charge
- 0
- Complexity
- 1,610
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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