Iturin C
2-[6,22-bis(2-amino-2-oxoethyl)-3-(3-amino-3-oxopropyl)-19-(hydroxymethyl)-9-[(4-hydroxyphenyl)methyl]-2,5,8,11,14,18,21,24-octaoxo-16-undecyl-1,4,7,10,13,17,20,23-octazabicyclo[23.3.0]octacosan-12-yl]acetic acid
Also Known As: Iturin C|2-[6,22-bis(2-amino-2-oxoethyl)-3-(3-amino-3-oxopropyl)-19-(hydroxymethyl)-9-[(4-hydroxyphenyl)methyl]-2,5,8,11,14,18,21,24-octaoxo-16-undecyl-1,4,7,10,13,17,20,23-octazabicyclo[23.3.0]octacosan-12-yl]acetic acid
| Molecular Formula | C48H73N11O15 |
|---|---|
| Molecular Weight | 1043.5288 g/mol |
| LogP | -2.8728 |
| Topological Polar Surface Area | 431.04 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 22 |
| Exact Mass | 1043.5288 |
| Monoisotopic Mass | 1043.5288 |
| Heavy Atoms | 74 |
| Complexity | 2160.3762 |
Chemical Identifiers
| CAS Number | 52229-92-2 |
|---|---|
| SMILES | CCCCCCCCCCCC1CC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)NC(C(=O)N1)CO)CC(=O)N)CCC(=O)N)CC(=O)N)CC3=CC=C(C=C3)O)CC(=O)O |
Product Overview
Iturin C (CAS 52229-92-2), with molecular formula C48H73N11O15 and molecular weight 1043.5288 g/mol. IUPAC: 2-[6,22-bis(2-amino-2-oxoethyl)-3-(3-amino-3-oxopropyl)-19-(hydroxymethyl)-9-[(4-hydroxyphenyl)methyl]-2,5,8,11,14,18,21,24-octaoxo-16-undecyl-1,4,7,10,13,17,20,23-octazabicyclo[23.3.0]octacosan-12-yl]acetic acid.