AC1NAGE9
2-[9-(4-methoxyphenyl)-6,13,15-trioxo-3,7-dithia-5,14-diazapentacyclo[9.5.1.02,10.04,8.012,16]heptadec-4(8)-en-14-yl]acetic acid
Also Known As: 5,9-Methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindole-7(2H)-acetic acid, 3,4a,5,5a,6,8,8a,9,9a,10-decahydro-10-(4-methoxyphenyl)-2,6,8-trioxo-|[10-(4-methoxyphenyl)-2,6,8-trioxo-3,4a,5,5a,6,8,8a,9,9a,10-decahydro-5,9-methano[1,3]thiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(2H)-yl]acetic acid|[9-(4-METHOXYPHENYL)-6,13,15-TRIOXO-3,7-DITHIA-5,14-DIAZAPENTACYCLO[9.5.1.0~2,10~.0~4,8~.0~12,16~]HEPTADEC-4(8)-EN-14-YL]ACETIC ACID|2-(10-(4-methoxyphenyl)-2,6,8-trioxo-2,3,4a,5,5a,6,8a,9,9a,10-decahydro-5,9-methanothiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(8H)-yl)acetic acid|2-[3-(4-methoxyphenyl)-6,13,15-trioxo-5,9-dithia-7,14-diazapentacyclo[9.5.1.0< 2,10>.0<4,8>.0<12,16>]heptadec-4(8)-en-14-yl]acetic acid|3,4a,5,5a,6,8,8a,9,9a,10-Decahydro-10-(4-methoxyphenyl)-2,6,8-trioxo-5,9-methanothiazolo[5a(2),4a(2):5,6]thiopyrano[2,3-f]isoindole-7(2H)-acetic acid
| Molecular Formula | C22H20N2O6S2 |
|---|---|
| Molecular Weight | 472.0763 g/mol |
| LogP | 2.0029 |
| Topological Polar Surface Area | 116.77 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 472.0763 |
| Monoisotopic Mass | 472.0763 |
| Heavy Atoms | 32 |
| Complexity | 1203.7484 |
Chemical Identifiers
| CAS Number | 638136-52-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2C3C4CC(C3SC5=C2SC(=O)N5)C6C4C(=O)N(C6=O)CC(=O)O |
Product Overview
AC1NAGE9 (CAS 638136-52-4), with molecular formula C22H20N2O6S2 and molecular weight 472.0763 g/mol. IUPAC: 2-[9-(4-methoxyphenyl)-6,13,15-trioxo-3,7-dithia-5,14-diazapentacyclo[9.5.1.02,10.04,8.012,16]heptadec-4(8)-en-14-yl]acetic acid.