JY1
Summary
| Name: | bis{N~2~,N~2~-bis[(diethylphosphanuidyl-kappaP)methyl]-N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]glycinamide}rhodium |
| Formula: | C36 H70 N6 O6 P4 Rh |
| Formal charge: | null |
| Formula weight: | 909.778 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | bis{N~2~,N~2~-bis[(diethylphosphanuidyl-kappaP)methyl]-N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]glycinamide}rhodium |
| OpenEye OEToolkits | 3.1.0.0 | ~{N}-[2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]ethyl]-2-[3-[2-[2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]ethylamino]-2-oxidanylidene-ethyl]-1,1,5,5,7,7,11,11-octaethyl-3,9-diaza-1$l^{4},5$l^{4},7$l^{4},11$l^{4}-tetraphospha-6$l^{4}-rhodaspiro[5.5]undecan-9-yl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C1CCC(=O)N1CCNC(=O)CN1CP(CC)(CC)[Rh]2(P(CN(CP2(CC)CC)CC(=O)NCCN2C(=O)CCC2=O)(CC)CC)P(CC)(CC)C1 |
| InChI | InChI | 1.06 | InChI=1S/2C18H35N3O3P2.Rh/c2*1-5-25(6-2)14-20(15-26(7-3)8-4)13-16(22)19-11-12-21-17(23)9-10-18(21)24;/h2*5-15H2,1-4H3,(H,19,22);/q;;-4/p+4 |
| InChIKey | InChI | 1.06 | KIKWETXGDLBDBZ-UHFFFAOYSA-R |
| SMILES_CANONICAL | CACTVS | 3.385 | [Rh].CCP(CC)CN(CP(CC)CC)CC(=O)NCCN1C(=O)CCC1=O.CCP(CC)CN(CP(CC)CC)CC(=O)NCCN2C(=O)CCC2=O |
| SMILES | CACTVS | 3.385 | [Rh].CCP(CC)CN(CP(CC)CC)CC(=O)NCCN1C(=O)CCC1=O.CCP(CC)CN(CP(CC)CC)CC(=O)NCCN2C(=O)CCC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC[P]1(CN(C[P]([Rh]12[P](CN(C[P]2(CC)CC)CC(=O)NCCN3C(=O)CCC3=O)(CC)CC)(CC)CC)CC(=O)NCCN4C(=O)CCC4=O)CC |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC[P]1(CN(C[P]([Rh]12[P](CN(C[P]2(CC)CC)CC(=O)NCCN3C(=O)CCC3=O)(CC)CC)(CC)CC)CC(=O)NCCN4C(=O)CCC4=O)CC |
