1. Primary Information
| English name: | Acetyl tetrapeptide-2 |
| CAS No.: | 757942-88-4 |
| Molecular formula: | C26H39N5O9 |
| Molecular weight: | 565.6 g/mol |
| SMILES: | CC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CCCCN)NC(=O)C |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 100mg | HPLC≥97% | 448 | 2-8℃ | in stock | - |
| Kehua Intelligence | 100mg | 97% | 320 | 2-8℃ | in stock | - |
| Kehua Intelligence | 250mg | 97% | 512 | 2-8℃ | in stock | - |
| Kehua Intelligence | 1g | 97% | 1280 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(3S)-3-[[(2S)-2-acetamido-6-aminohexanoyl]amino]-4-[[(2S)-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
4.2 InChI
InChI=1S/C26H39N5O9/c1-14(2)22(25(38)30-20(26(39)40)12-16-7-9-17(33)10-8-16)31-24(37)19(13-21(34)35)29-23(36)18(28-15(3)32)6-4-5-11-27/h7-10,14,18-20,22,33H,4-6,11-13,27H2,1-3H3,(H,28,32)(H,29,36)(H,30,38)(H,31,37)(H,34,35)(H,39,40)/t18-,19-,20-,22-/m0/s1
4.3 InChIKey
ITIMHIATVYROGF-XWUOBKMESA-N
4.4 Canonical SMILES
CC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CCCCN)NC(=O)C
4.5 Isomeric SMILES
CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)C
