1. Primary Information
| English name: | Z-D-Arg-Gly-Arg-pNA . 2 HCl |
| CAS No.: | 113711-77-6 |
| Molecular formula: | C28H41Cl2N11O7 |
| Molecular weight: | 714.6 g/mol |
| SMILES: | C1=CC=C(C=C1)COC(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-].Cl.Cl |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 25mg | 98% | 1200 | -20℃ | in stock | - |
| Kehua Intelligence | 100mg | 98% | 3600 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
benzyl N-[(2R)-5-(diaminomethylideneamino)-1-[[2-[[(2S)-5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]carbamate;dihydrochloride
4.2 InChI
InChI=1S/C28H39N11O7.2ClH/c29-26(30)33-14-4-8-21(38-28(43)46-17-18-6-2-1-3-7-18)24(41)35-16-23(40)37-22(9-5-15-34-27(31)32)25(42)36-19-10-12-20(13-11-19)39(44)45;;/h1-3,6-7,10-13,21-22H,4-5,8-9,14-17H2,(H,35,41)(H,36,42)(H,37,40)(H,38,43)(H4,29,30,33)(H4,31,32,34);2*1H/t21-,22+;;/m1../s1
4.3 InChIKey
SSYLORYZHRLKBF-ZZYOSWMOSA-N
4.4 Canonical SMILES
C1=CC=C(C=C1)COC(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-].Cl.Cl
4.5 Isomeric SMILES
C1=CC=C(C=C1)COC(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-].Cl.Cl
