1. Primary Information
| English name: | (9H-fluoren-9-yl)methyl ((S)-1-(((S)-1-(((3R,4S,5S)-1-((S)-2-((1R,2R)-3-(((1S,2R)-1-hydroxy-1-phenylpropan-2-yl)amino)-1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl)-3-methoxy-5-methyl-1-oxoheptan-4-yl)(methyl)amino)-3-methyl-1-oxobutan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)(methyl)carbamate |
| CAS No.: | 474645-26-6 |
| Molecular formula: | C54H77N5O9 |
| Molecular weight: | 940.2 g/mol |
| SMILES: | CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(C)C(C2=CC=CC=C2)O)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)N(C)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35 |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 100mg | 98% | 11920 | -20℃ | in stock | - |
| Kehua Intelligence | 500mg | 98% | 26880 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
9H-fluoren-9-ylmethyl N-[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-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/C54H77N5O9/c1-13-34(6)48(44(66-11)30-45(60)59-29-21-28-43(59)50(67-12)35(7)51(62)55-36(8)49(61)37-22-15-14-16-23-37)57(9)53(64)46(32(2)3)56-52(63)47(33(4)5)58(10)54(65)68-31-42-40-26-19-17-24-38(40)39-25-18-20-27-41(39)42/h14-20,22-27,32-36,42-44,46-50,61H,13,21,28-31H2,1-12H3,(H,55,62)(H,56,63)/t34-,35+,36+,43-,44+,46-,47-,48-,49+,50+/m0/s1
4.3 InChIKey
ZBRLIYBOHHIZKY-NMDVRVFRSA-N
4.4 Canonical SMILES
CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(C)C(C2=CC=CC=C2)O)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)N(C)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
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](C)[C@H](C2=CC=CC=C2)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
