1. Primary Information
| English name: | D-Lys(Z)-Pro-Arg-pNA (diacetate) |
| CAS No.: | 108963-70-8 |
| Molecular formula: | C35H51N9O11 |
| Molecular weight: | 773.8 g/mol |
| SMILES: | CC(=O)O.CC(=O)O.C1CC(N(C1)C(=O)C(CCCCNC(=O)OCC2=CC=CC=C2)N)C(=O)NC(CCCN=C(N)N)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-] |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | 98% | 2800 | -20℃ | in stock | - |
| Kehua Intelligence | 10mg | 98% | 4000 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
acetic acid;benzyl N-[(5R)-5-amino-6-[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-6-oxohexyl]carbamate
4.2 InChI
InChI=1S/C31H43N9O7.2C2H4O2/c32-24(10-4-5-17-36-31(44)47-20-21-8-2-1-3-9-21)29(43)39-19-7-12-26(39)28(42)38-25(11-6-18-35-30(33)34)27(41)37-22-13-15-23(16-14-22)40(45)46;2*1-2(3)4/h1-3,8-9,13-16,24-26H,4-7,10-12,17-20,32H2,(H,36,44)(H,37,41)(H,38,42)(H4,33,34,35);2*1H3,(H,3,4)/t24-,25+,26+;;/m1../s1
4.3 InChIKey
VMCWZMKBOZNVHX-ANSAKZOLSA-N
4.4 Canonical SMILES
CC(=O)O.CC(=O)O.C1CC(N(C1)C(=O)C(CCCCNC(=O)OCC2=CC=CC=C2)N)C(=O)NC(CCCN=C(N)N)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]
4.5 Isomeric SMILES
CC(=O)O.CC(=O)O.C1C[C@H](N(C1)C(=O)[C@@H](CCCCNC(=O)OCC2=CC=CC=C2)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]
