1. Primary Information
| English name: | Boc-Val-Cit-PAB-PNP |
| CAS No.: | 870487-10-8 |
| Molecular formula: | C30H40N6O10 |
| Molecular weight: | 644.7 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)OC(C)(C)C |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | 98% | 192 | -20℃ | in stock | - |
| Kehua Intelligence | 10mg | 98% | 320 | -20℃ | in stock | - |
| Kehua Intelligence | 50mg | 98% | 704 | -20℃ | in stock | - |
| Kehua Intelligence | 100mg | 98% | 1216 | -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)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]pentanoyl]amino]phenyl]methyl (4-nitrophenyl) carbonate
4.2 InChI
InChI=1S/C30H40N6O10/c1-18(2)24(35-28(40)46-30(3,4)5)26(38)34-23(7-6-16-32-27(31)39)25(37)33-20-10-8-19(9-11-20)17-44-29(41)45-22-14-12-21(13-15-22)36(42)43/h8-15,18,23-24H,6-7,16-17H2,1-5H3,(H,33,37)(H,34,38)(H,35,40)(H3,31,32,39)/t23-,24-/m0/s1
4.3 InChIKey
SKWLDDHVHXQPOG-ZEQRLZLVSA-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)OC(C)(C)C
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)OC(C)(C)C
