1. Primary Information
| English name: | Fmoc-Val-Cit-PAB |
| CAS No.: | 159858-22-7 |
| Molecular formula: | C33H39N5O6 |
| Molecular weight: | 601.7 g/mol |
| SMILES: | CC(C)C(C(=O)NC(CCCNC(=O)N)C(=O)NC1=CC=C(C=C1)CO)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24 |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 1mg | 98% | 280 | -20℃ | in stock | - |
| Kehua Intelligence | 5mg | 98% | 696 | -20℃ | in stock | - |
| Kehua Intelligence | 10mg | 98% | 1200 | -20℃ | in stock | - |
| Kehua Intelligence | 25mg | 98% | 2240 | -20℃ | in stock | - |
| Kehua Intelligence | 50mg | 98% | 4240 | -20℃ | in stock | - |
| Kehua Intelligence | 100mg | 98% | 7120 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
9H-fluoren-9-ylmethyl N-[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-(hydroxymethyl)anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
4.2 InChI
InChI=1S/C33H39N5O6/c1-20(2)29(38-33(43)44-19-27-25-10-5-3-8-23(25)24-9-4-6-11-26(24)27)31(41)37-28(12-7-17-35-32(34)42)30(40)36-22-15-13-21(18-39)14-16-22/h3-6,8-11,13-16,20,27-29,39H,7,12,17-19H2,1-2H3,(H,36,40)(H,37,41)(H,38,43)(H3,34,35,42)/t28-,29-/m0/s1
4.3 InChIKey
DALMAZHDNFCDRP-VMPREFPWSA-N
4.4 Canonical SMILES
CC(C)C(C(=O)NC(CCCNC(=O)N)C(=O)NC1=CC=C(C=C1)CO)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
4.5 Isomeric SMILES
CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=O)N)C(=O)NC1=CC=C(C=C1)CO)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
