1. Primary Information
| English name: | Vc-MMAD |
| CAS No.: | 1401963-17-4 |
| Molecular formula: | C70H104N12O14S |
| Molecular weight: | 1369.7 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)OCC4=CC=C(C=C4)NC(=O)C(CCCNC(=O)N)NC(=O)C(C(C)C)NC(=O)CCCCCN5C(=O)C=CC5=O |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 1mg | 98% | 960 | -20℃ | in stock | - |
| Kehua Intelligence | 5mg | 98% | 1520 | -20℃ | in stock | - |
| Kehua Intelligence | 10mg | 98% | 2880 | -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)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl 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-methylcarbamate
4.2 InChI
InChI=1S/C70H104N12O14S/c1-14-45(8)61(53(94-12)40-57(86)81-37-22-26-52(81)62(95-13)46(9)63(87)76-51(67-72-35-38-97-67)39-47-23-17-15-18-24-47)79(10)68(91)59(43(4)5)78-66(90)60(44(6)7)80(11)70(93)96-41-48-28-30-49(31-29-48)74-64(88)50(25-21-34-73-69(71)92)75-65(89)58(42(2)3)77-54(83)27-19-16-20-36-82-55(84)32-33-56(82)85/h15,17-18,23-24,28-33,35,38,42-46,50-53,58-62H,14,16,19-22,25-27,34,36-37,39-41H2,1-13H3,(H,74,88)(H,75,89)(H,76,87)(H,77,83)(H,78,90)(H3,71,73,92)/t45-,46+,50-,51-,52-,53+,58-,59-,60-,61-,62+/m0/s1
4.3 InChIKey
GRBICHHPFYWKKI-BDVWXETGSA-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)OCC4=CC=C(C=C4)NC(=O)C(CCCNC(=O)N)NC(=O)C(C(C)C)NC(=O)CCCCCN5C(=O)C=CC5=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)OCC4=CC=C(C=C4)NC(=O)[C@H](CCCNC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)CCCCCN5C(=O)C=CC5=O
