1. Primary Information
| English name: | ((2R,3R)-3-((S)-1-((3R,4S,5S)-4-((S)-2-((S)-2-((4-((tert-Butoxycarbonyl)(methyl)amino)butyl)(methyl)amino)-3-methylbutanamido)-N,3-dimethylbutanamido)-3-methoxy-5-methylheptanoyl)pyrrolidin-2-yl)-3-methoxy-2-methylpropanoyl)-L-phenylalanine |
| CAS No.: | 2375388-36-4 |
| Molecular formula: | C49H84N6O10 |
| Molecular weight: | 917.2 g/mol |
| SMILES: | CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(CC2=CC=CC=C2)C(=O)O)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)N(C)CCCCN(C)C(=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 | 95% | 1200 | -20°C | in stock | - |
| Kehua Intelligence | 10mg | 95% | 1920 | -20°C | in stock | - |
| Kehua Intelligence | 25mg | 95% | 3600 | -20°C | in stock | - |
| Kehua Intelligence | 100mg | 95% | 10800 | -20°C | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(2S)-2-[[(2R,3R)-3-methoxy-3-[(2S)-1-[(3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[methyl-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butyl]amino]butanoyl]amino]butanoyl]amino]heptanoyl]pyrrolidin-2-yl]-2-methylpropanoyl]amino]-3-phenylpropanoic acid
4.2 InChI
InChI=1S/C49H84N6O10/c1-16-33(6)42(54(13)46(59)40(31(2)3)51-45(58)41(32(4)5)52(11)26-20-21-27-53(12)48(62)65-49(8,9)10)38(63-14)30-39(56)55-28-22-25-37(55)43(64-15)34(7)44(57)50-36(47(60)61)29-35-23-18-17-19-24-35/h17-19,23-24,31-34,36-38,40-43H,16,20-22,25-30H2,1-15H3,(H,50,57)(H,51,58)(H,60,61)/t33-,34+,36-,37-,38+,40-,41-,42-,43+/m0/s1
4.3 InChIKey
VMDWXGWKGUOMOF-KVEFUIBJSA-N
4.4 Canonical SMILES
CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(CC2=CC=CC=C2)C(=O)O)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)N(C)CCCCN(C)C(=O)OC(C)(C)C
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)C(=O)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)CCCCN(C)C(=O)OC(C)(C)C
