1. Primary Information
| English name: | BQ-788 |
| CAS No.: | 156161-89-6 |
| Molecular formula: | C34H50N5NAO7 |
| Molecular weight: | 663.8 g/mol |
| SMILES: | CCCCC(C(=O)[O-])NC(=O)C(CC1=CN(C2=CC=CC=C21)C(=O)OC)NC(=O)C(CC(C)(C)C)NC(=O)N3C(CCCC3C)C.[Na+] |
| Structural class: | |
| Other identifiers: |
BQ 788 BQ-788 BQ788 N-2,6-dimethylpiperidinocarbonyl-gamma-MeLeu-Trp(COOMe)-Nle-ONa N-cis-2,6-dimethylpiperidinocarbonyl-gamma-methylleucyl-tryptophyl(COOMe)-norleucine |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 1mg | 98% | 1200 | -20℃ | in stock | - |
| Kehua Intelligence | 5mg | 98% | 2604 | -20℃ | in stock | - |
| Kehua Intelligence | 10mg | 98% | 3720 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
sodium;(2R)-2-[[(2R)-2-[[(2S)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-4,4-dimethylpentanoyl]amino]-3-(1-methoxycarbonylindol-3-yl)propanoyl]amino]hexanoate
4.2 InChI
InChI=1S/C34H51N5O7.Na/c1-8-9-16-25(31(42)43)35-29(40)26(18-23-20-38(33(45)46-7)28-17-11-10-15-24(23)28)36-30(41)27(19-34(4,5)6)37-32(44)39-21(2)13-12-14-22(39)3;/h10-11,15,17,20-22,25-27H,8-9,12-14,16,18-19H2,1-7H3,(H,35,40)(H,36,41)(H,37,44)(H,42,43);/q;+1/p-1/t21-,22+,25-,26-,27+;/m1./s1
4.3 InChIKey
QCVIFBRTTLMEOV-FUKQNADPSA-M
4.4 Canonical SMILES
CCCCC(C(=O)[O-])NC(=O)C(CC1=CN(C2=CC=CC=C21)C(=O)OC)NC(=O)C(CC(C)(C)C)NC(=O)N3C(CCCC3C)C.[Na+]
4.5 Isomeric SMILES
CCCC[C@H](C(=O)[O-])NC(=O)[C@@H](CC1=CN(C2=CC=CC=C21)C(=O)OC)NC(=O)[C@H](CC(C)(C)C)NC(=O)N3[C@@H](CCC[C@@H]3C)C.[Na+]
