1. Primary Information
| English name: | (2R)-N-(2-aminoacetyl)-2-[[(2S)-4-[(3-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-[(3-fluorophenyl)methyl]amino]-3,3-dimethylbutanamide |
| CAS No.: | 284661-68-3 |
| Molecular formula: | C35H48FN5O5S |
| Molecular weight: | 669.9 g/mol |
| SMILES: | CC(C)CN(CC(C(CC1=CC=CC=C1)N(CC2=CC(=CC=C2)F)C(C(=O)NC(=O)CN)C(C)(C)C)O)S(=O)(=O)C3=CC=CC(=C3)N |
| Structural class: | |
| Other identifiers: |
DPC 681 |
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% | 4000 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(2R)-N-(2-aminoacetyl)-2-[[(2S)-4-[(3-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-[(3-fluorophenyl)methyl]amino]-3,3-dimethylbutanamide
4.2 InChI
InChI=1S/C35H48FN5O5S/c1-24(2)21-40(47(45,46)29-16-10-15-28(38)19-29)23-31(42)30(18-25-11-7-6-8-12-25)41(22-26-13-9-14-27(36)17-26)33(35(3,4)5)34(44)39-32(43)20-37/h6-17,19,24,30-31,33,42H,18,20-23,37-38H2,1-5H3,(H,39,43,44)/t30-,31?,33-/m0/s1
4.3 InChIKey
BHPRDABYBCABNU-NCNGZOBXSA-N
4.4 Canonical SMILES
CC(C)CN(CC(C(CC1=CC=CC=C1)N(CC2=CC(=CC=C2)F)C(C(=O)NC(=O)CN)C(C)(C)C)O)S(=O)(=O)C3=CC=CC(=C3)N
4.5 Isomeric SMILES
CC(C)CN(CC([C@H](CC1=CC=CC=C1)N(CC2=CC(=CC=C2)F)[C@@H](C(=O)NC(=O)CN)C(C)(C)C)O)S(=O)(=O)C3=CC=CC(=C3)N
