1. Primary Information
| English name: | Mc-MMAD |
| CAS No.: | 1401963-15-2 |
| Molecular formula: | C51H77N7O9S |
| Molecular weight: | 964.3 g/mol |
| SMILES: | CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(CC2=CC=CC=C2)C3=NC=CS3)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)N(C)C(=O)CCCCCN4C(=O)C=CC4=O |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 1mg | 98% | 3120 | -20℃ | in stock | - |
| Kehua Intelligence | 5mg | 98% | 5280 | -20℃ | in stock | - |
| Kehua Intelligence | 10mg | 98% | 8080 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
6-(2,5-dioxopyrrol-1-yl)-N-[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-N-methylhexanamide
4.2 InChI
InChI=1S/C51H77N7O9S/c1-12-34(6)46(56(9)51(65)44(32(2)3)54-49(64)45(33(4)5)55(8)40(59)23-17-14-18-27-58-41(60)24-25-42(58)61)39(66-10)31-43(62)57-28-19-22-38(57)47(67-11)35(7)48(63)53-37(50-52-26-29-68-50)30-36-20-15-13-16-21-36/h13,15-16,20-21,24-26,29,32-35,37-39,44-47H,12,14,17-19,22-23,27-28,30-31H2,1-11H3,(H,53,63)(H,54,64)/t34-,35+,37-,38-,39+,44-,45-,46-,47+/m0/s1
4.3 InChIKey
OZUQLKHIIRUJRZ-PGBUMTRMSA-N
4.4 Canonical SMILES
CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(CC2=CC=CC=C2)C3=NC=CS3)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)N(C)C(=O)CCCCCN4C(=O)C=CC4=O
4.5 Isomeric SMILES
CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C3=NC=CS3)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)CCCCCN4C(=O)C=CC4=O
