RC 161
19-[(2-acetamido-3-phenylpropanoyl)amino]-10-(4-aminobutyl)-N-(1-amino-3-hydroxy-1-oxobutan-2-yl)-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-7-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
Also Known As: RC 161|RC-161|19-[(2-acetamido-3-phenylpropanoyl)amino]-10-(4-aminobutyl)-N-(1-amino-3-hydroxy-1-oxobutan-2-yl)-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-7-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide|Acetylphenylalanyl-cysteinyl-tyrosyl-tryptophyl-lysyl-valyl-cysteinyl-threoninamide|L-Threoninamide, N-acetyl-D-phenylalanyl-L-cysteinyl-L-tyrosyl-D-tryptophyl-L-lysyl-L-valyl-L-cysteinyl-, cyclic (2-7)-disulfide
| Molecular Formula | C52H69N11O11S2 |
|---|---|
| Molecular Weight | 1087.4619 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 409.0 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 18 |
| Exact Mass | 1087.4619 |
| Monoisotopic Mass | 1087.4619 |
| Heavy Atoms | 76 |
| Complexity | 1980.0 |
Chemical Identifiers
| CAS Number | 103237-51-0 |
|---|---|
| SMILES | CC(C)C1C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)C(CC5=CC=CC=C5)NC(=O)C)C(=O)NC(C(C)O)C(=O)N |
| InChIKey | RDQAXLBMDMKOLS-UHFFFAOYSA-N |
Product Overview
RC 161 (CAS 103237-51-0), with molecular formula C52H69N11O11S2 and molecular weight 1087.4619 g/mol. IUPAC: 19-[(2-acetamido-3-phenylpropanoyl)amino]-10-(4-aminobutyl)-N-(1-amino-3-hydroxy-1-oxobutan-2-yl)-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-7-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide.