1. Primary Information
| English name: | Mc-Val-Cit-PABC-PNP |
| CAS No.: | 159857-81-5 |
| Molecular formula: | C35H43N7O11 |
| Molecular weight: | 737.8 g/mol |
| SMILES: | CC(C)C(C(=O)NC(CCCNC(=O)N)C(=O)NC1=CC=C(C=C1)COC(=O)OC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)CCCCCN3C(=O)C=CC3=O |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 1mg | 97% | 128 | -20℃ | in stock | - |
| Kehua Intelligence | 2mg | 97% | 192 | -20℃ | in stock | - |
| Kehua Intelligence | 5mg | 97% | 320 | -20℃ | in stock | - |
| Kehua Intelligence | 10mg | 97% | 544 | -20℃ | in stock | - |
| Kehua Intelligence | 25mg | 97% | 960 | -20℃ | in stock | - |
| Kehua Intelligence | 50mg | 97% | 1472 | -20℃ | in stock | - |
| Kehua Intelligence | 100mg | 97% | 2496 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl (4-nitrophenyl) carbonate
4.2 InChI
InChI=1S/C35H43N7O11/c1-22(2)31(40-28(43)8-4-3-5-20-41-29(44)17-18-30(41)45)33(47)39-27(7-6-19-37-34(36)48)32(46)38-24-11-9-23(10-12-24)21-52-35(49)53-26-15-13-25(14-16-26)42(50)51/h9-18,22,27,31H,3-8,19-21H2,1-2H3,(H,38,46)(H,39,47)(H,40,43)(H3,36,37,48)/t27-,31-/m0/s1
4.3 InChIKey
HYSPJPGXSALJRR-DHIFEGFHSA-N
4.4 Canonical SMILES
CC(C)C(C(=O)NC(CCCNC(=O)N)C(=O)NC1=CC=C(C=C1)COC(=O)OC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)CCCCCN3C(=O)C=CC3=O
4.5 Isomeric SMILES
CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=O)N)C(=O)NC1=CC=C(C=C1)COC(=O)OC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)CCCCCN3C(=O)C=CC3=O
