1. Primary Information
| English name: | tert-Butyl ((S)-1-((2-(((S)-5-guanidino-1-((4-nitrophenyl)amino)-1-oxopentan-2-yl)amino)-2-oxoethyl)amino)-4-methyl-1-oxopentan-2-yl)carbamate hydrochloride |
| CAS No.: | 71730-95-5 |
| Molecular formula: | C25H41ClN8O7 |
| Molecular weight: | 601.1 g/mol |
| SMILES: | CC(C)CC(C(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)OC(C)(C)C.Cl |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 50mg | BR，99% | 1120 | 2-8℃,避光 | in stock | - |
| Kehua Intelligence | 100mg | BR，99% | 1760 | 2-8℃,避光 | in stock | - |
| Kehua Intelligence | 500mg | BR，99% | 5280 | 2-8℃,避光 | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
tert-butyl N-[(2S)-1-[[2-[[(2S)-5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]carbamate;hydrochloride
4.2 InChI
InChI=1S/C25H40N8O7.ClH/c1-15(2)13-19(32-24(37)40-25(3,4)5)21(35)29-14-20(34)31-18(7-6-12-28-23(26)27)22(36)30-16-8-10-17(11-9-16)33(38)39;/h8-11,15,18-19H,6-7,12-14H2,1-5H3,(H,29,35)(H,30,36)(H,31,34)(H,32,37)(H4,26,27,28);1H/t18-,19-;/m0./s1
4.3 InChIKey
UZOVQZUBLDOMBJ-HLRBRJAUSA-N
4.4 Canonical SMILES
CC(C)CC(C(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)OC(C)(C)C.Cl
4.5 Isomeric SMILES
CC(C)C[C@@H](C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)OC(C)(C)C.Cl
