1. Primary Information
| English name: | (3R,5R)-7-(((3R,5R)-7-(2-(4-Fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoyl)amino)-3,5-dihydroxyheptanoic acid |
| CAS No.: | 887196-24-9 |
| Molecular formula: | C40H48FN3O8 |
| Molecular weight: | 717.8 g/mol |
| SMILES: | CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)NCCC(CC(CC(=O)O)O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4 |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 10mg | 95% | 1440 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(3R,5R)-7-[[(3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoyl]amino]-3,5-dihydroxyheptanoic acid
4.2 InChI
InChI=1S/C40H48FN3O8/c1-25(2)38-37(40(52)43-29-11-7-4-8-12-29)36(26-9-5-3-6-10-26)39(27-13-15-28(41)16-14-27)44(38)20-18-31(46)22-32(47)23-34(49)42-19-17-30(45)21-33(48)24-35(50)51/h3-16,25,30-33,45-48H,17-24H2,1-2H3,(H,42,49)(H,43,52)(H,50,51)/t30-,31-,32-,33-/m1/s1
4.3 InChIKey
UNBQUGGVWQTSGG-XEXPGFJZSA-N
4.4 Canonical SMILES
CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)NCCC(CC(CC(=O)O)O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4
4.5 Isomeric SMILES
CC(C)C1=C(C(=C(N1CC[C@H](C[C@H](CC(=O)NCC[C@H](C[C@H](CC(=O)O)O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4
