Basic information
- CAS
32530-94-2- Standard SMILES
CC(C)CC1NC(=O)C(CCN)NC(=O)C(NC(=O)C(CCN)NC(=O)C(N)C(C)O)CCNC(=O)C(C(C)O)NC(=O)C(CCN)NC(=O)C(CCN)NC(=O)C(CC(C)C)NC1=O- InChIKey
WNPBEUWOUYCJJR-UHFFFAOYSA-N- Molecular formula
- C40H76N14O11
- Average molar mass
- 929.1 g/mol
- Monoisotopic mass
- 928.5817993
Overview
amino acid sequence given in first source
Names & identifiers
- Preferred name
- Colistin nonapeptide
- IUPAC
- 2-amino-N-[4-amino-1-oxo-1-[[6,9,18-tris(2-aminoethyl)-3-(1-hydroxyethyl)-12,15-bis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]-3-hydroxybutanamide
- English name
- colistin nonapeptide
- Molecular formula
- C40H76N14O11
- Molecular weight
- 929.12
Names & synonyms
Colistin nonapeptide32530-94-2RefChem:1274552-amino-N-[4-amino-1-oxo-1-[[6,9,18-tris(2-aminoethyl)-3-(1-hydroxyethyl)-12,15-bis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]-3-hydroxybutanamideSCHEMBL29360076DTXSID109542622-Amino-N-(4-amino-1-hydroxy-1-{[6,9,18-tris(2-aminoethyl)-2,5,8,11,14,17,20-heptahydroxy-3-(1-hydroxyethyl)-12,15-bis(2-methylpropyl)-1,4,7,10,13,16,19-heptaazacyclotricosa-1,4,7,10,13,16,19-heptaen-21-yl]imino}butan-2-yl)-3-hydroxybutanimidic acid2-10-Polymyxin E1
Database identifiers
- CAS
32530-94-2- PubChem CID
- 169441
- DTXSID
DTXSID10954262
Properties
Computed structural properties
- XLogP
- -5.1
- Topological polar surface area
- 432 Ų
- Hydrogen bond donors
- 16
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 18
- Heavy atoms
- 65
- Formal charge
- 0
- Complexity
- 1,610
Chemistry & industry
Suppliers3 total
LEON (NANJING) BIOTECHNOLOGY CO., LTD.15051830413 · [email protected]
南京莱昂生物科技有限公司025-84523390 -127; 17705183659 · [email protected]
南京肽业生物科技有限公司025-58361106-805 15951641583 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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