S42
Summary
| Name: | 6-[(2R)-3-amino-2-{3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]phenyl}propyl]-4-methylpyridin-2-amine |
| Formula: | C23 H29 N5 |
| Formal charge: | 0 |
| Formula weight: | 375.51 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-[(2R)-3-amino-2-{3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]phenyl}propyl]-4-methylpyridin-2-amine |
| OpenEye OEToolkits | 1.7.6 | 6-[2-[3-[(2R)-1-azanyl-3-(6-azanyl-4-methyl-pyridin-2-yl)propan-2-yl]phenyl]ethyl]-4-methyl-pyridin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1c(N)cc(cc1CCc2cccc(c2)C(Cc3nc(N)cc(c3)C)CN)C |
| InChI | InChI | 1.03 | InChI=1S/C23H29N5/c1-15-8-20(27-22(25)10-15)7-6-17-4-3-5-18(12-17)19(14-24)13-21-9-16(2)11-23(26)28-21/h3-5,8-12,19H,6-7,13-14,24H2,1-2H3,(H2,25,27)(H2,26,28)/t19-/m0/s1 |
| InChIKey | InChI | 1.03 | ZFHITWHLDPDYFG-IBGZPJMESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(N)nc(CCc2cccc(c2)[C@H](CN)Cc3cc(C)cc(N)n3)c1 |
| SMILES | CACTVS | 3.385 | Cc1cc(N)nc(CCc2cccc(c2)[CH](CN)Cc3cc(C)cc(N)n3)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1cc(nc(c1)N)CCc2cccc(c2)[C@@H](Cc3cc(cc(n3)N)C)CN |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cc(nc(c1)N)CCc2cccc(c2)C(Cc3cc(cc(n3)N)C)CN |
