U8G
Summary
Name: | (4-{2-[(tert-butoxycarbonyl)amino]-3-methoxy-3-oxopropyl}-1,3-dimethyl-2,3-dihydro-1H-imidazol-2-yl)rhodium |
Formula: | C14 H23 N3 O4 Rh |
Formal charge: | 0 |
Formula weight: | 400.256 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | (5-{2-[(tert-butoxycarbonyl)amino]-3-methoxy-3-oxopropyl}-1,3-dimethyl-1H-imidazol-3-ium-2-yl)rhodium |
OpenEye OEToolkits | 2.0.7 | [4-[3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-propyl]-1,3-dimethyl-imidazol-2-yl]rhodium |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1([Rh])n(C)c(c[n+]1C)CC(C(OC)=O)NC(OC(C)(C)C)=O |
InChI | InChI | 1.03 | InChI=1S/C14H23N3O4.Rh/c1-14(2,3)21-13(19)15-11(12(18)20-6)7-10-8-16(4)9-17(10)5;/h8,11H,7H2,1-6H3,(H,15,19); |
InChIKey | InChI | 1.03 | UQXOBHGZUZGMJH-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)C(Cc1c[n](C)c([Rh])n1C)NC(=O)OC(C)(C)C |
SMILES | CACTVS | 3.385 | COC(=O)C(Cc1c[n](C)c([Rh])n1C)NC(=O)OC(C)(C)C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C)OC(=O)NC(CC1=C[N](=C(N1C)[Rh])C)C(=O)OC |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C)OC(=O)NC(CC1=C[N](=C(N1C)[Rh])C)C(=O)OC |