1. Primary Information
| English name: | N-Cbz-Gly-Pro-Arg p-nitro-anilide acetate salt |
| CAS No.: | 102679-70-9 |
| Molecular formula: | C29H38N8O9 |
| Molecular weight: | 642.7 g/mol |
| SMILES: | CC(=O)O.C1CC(N(C1)C(=O)CNC(=O)OCC2=CC=CC=C2)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 | BR，98% | 1280 | -20℃ | in stock | - |
| Kehua Intelligence | 25mg | BR，98% | 2800 | -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-[2-[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]carbamate
4.2 InChI
InChI=1S/C27H34N8O7.C2H4O2/c28-26(29)30-14-4-8-21(24(37)32-19-10-12-20(13-11-19)35(40)41)33-25(38)22-9-5-15-34(22)23(36)16-31-27(39)42-17-18-6-2-1-3-7-18;1-2(3)4/h1-3,6-7,10-13,21-22H,4-5,8-9,14-17H2,(H,31,39)(H,32,37)(H,33,38)(H4,28,29,30);1H3,(H,3,4)/t21-,22-;/m0./s1
4.3 InChIKey
FPMAXHHYPVIJMC-VROPFNGYSA-N
4.4 Canonical SMILES
CC(=O)O.C1CC(N(C1)C(=O)CNC(=O)OCC2=CC=CC=C2)C(=O)NC(CCCN=C(N)N)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]
4.5 Isomeric SMILES
CC(=O)O.C1C[C@H](N(C1)C(=O)CNC(=O)OCC2=CC=CC=C2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]
