1. Primary Information
| English name: | tert-butyl (5S,8S,11S,12R)-11-((S)-sec-butyl)-1-(9H-fluoren-9-yl)-5,8-diisopropyl-12-methoxy-4,10-dimethyl-3,6,9-trioxo-2-oxa-4,7,10-triazatetradecan-14-oate |
| CAS No.: | 474645-25-5 |
| Molecular formula: | C40H59N3O7 |
| Molecular weight: | 693.9 g/mol |
| SMILES: | CCC(C)C(C(CC(=O)OC(C)(C)C)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)N(C)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13 |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 100mg | 98% | 1000 | -20℃ | in stock | - |
| Kehua Intelligence | 250mg | 98% | 1680 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
tert-butyl (3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoate
4.2 InChI
InChI=1S/C40H59N3O7/c1-13-26(6)36(32(48-12)22-33(44)50-40(7,8)9)42(10)38(46)34(24(2)3)41-37(45)35(25(4)5)43(11)39(47)49-23-31-29-20-16-14-18-27(29)28-19-15-17-21-30(28)31/h14-21,24-26,31-32,34-36H,13,22-23H2,1-12H3,(H,41,45)/t26-,32+,34-,35-,36-/m0/s1
4.3 InChIKey
JJTGKUKIKMQVDD-SPEVZLOGSA-N
4.4 Canonical SMILES
CCC(C)C(C(CC(=O)OC(C)(C)C)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)N(C)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
4.5 Isomeric SMILES
CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
