Colistin nonapeptide
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
Also Known As: Colistin nonapeptide|6H-Pyrrolo[2,3-g]-1,2-benzisoxazole(9CI)|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|Polymyxin E1, 1-de(N2-(6-methyl-1-oxooctyl)-L-2,4-diaminobutanoic acid)-, (S)-|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-heptaazacyclotricosan-21-yl]amino}butan-2-yl)threoninamide|2-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 acid
| Molecular Formula | C40H76N14O11 |
|---|---|
| Molecular Weight | 928.5818 g/mol |
| LogP | -5.1 |
| Topological Polar Surface Area | 432.0 Ų |
| Hydrogen Bond Donors | 16 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 18 |
| Exact Mass | 928.5818 |
| Monoisotopic Mass | 928.5818 |
| Heavy Atoms | 65 |
| Complexity | 1610.0 |
Chemical Identifiers
| CAS Number | 37481-35-9 |
|---|---|
| SMILES | CC(C)CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCCC(C(=O)NC(C(=O)N1)CCN)NC(=O)C(CCN)NC(=O)C(C(C)O)N)C(C)O)CCN)CCN)CC(C)C |
| InChIKey | WNPBEUWOUYCJJR-UHFFFAOYSA-N |
Product Overview
Colistin nonapeptide (CAS 37481-35-9), with molecular formula C40H76N14O11 and molecular weight 928.5818 g/mol. 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.