1. Primary Information
| English name: | L-Valinamide, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-2-methylalanyl-N-[(1S,2S)-1-[(1R)-2-carboxy-1-methoxyethyl]-2-methylbutyl]-N-methyl- |
| CAS No.: | 1438851-55-8 |
| Molecular formula: | C34H47N3O7 |
| Molecular weight: | 609.8 g/mol |
| SMILES: | CCC(C)C(C(CC(=O)O)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C)(C)NC(=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% | 8640 | -20℃ | in stock | - |
| Kehua Intelligence | 500mg | 98% | 21920 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(3R,4S,5S)-4-[[(2S)-2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoic acid
4.2 InChI
InChI=1S/C34H47N3O7/c1-9-21(4)30(27(43-8)18-28(38)39)37(7)31(40)29(20(2)3)35-32(41)34(5,6)36-33(42)44-19-26-24-16-12-10-14-22(24)23-15-11-13-17-25(23)26/h10-17,20-21,26-27,29-30H,9,18-19H2,1-8H3,(H,35,41)(H,36,42)(H,38,39)/t21-,27+,29-,30-/m0/s1
4.3 InChIKey
PNMCNMWLUZCUOQ-JCAQUDJLSA-N
4.4 Canonical SMILES
CCC(C)C(C(CC(=O)O)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C)(C)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
4.5 Isomeric SMILES
CC[C@H](C)[C@@H]([C@@H](CC(=O)O)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)C(C)(C)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
