Loading
PDBj
メニューPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

U8G

概要
表記:(4-{2-[(tert-butoxycarbonyl)amino]-3-methoxy-3-oxopropyl}-1,3-dimethyl-2,3-dihydro-1H-imidazol-2-yl)rhodium
組成式:C14 H23 N3 O4 Rh
電荷:0
化学式量:400.256 Da
分子種別:non-polymer

化合物名

プログラムバージョン表記
ACDLabs12.01(5-{2-[(tert-butoxycarbonyl)amino]-3-methoxy-3-oxopropyl}-1,3-dimethyl-1H-imidazol-3-ium-2-yl)rhodium
OpenEye OEToolkits2.0.7[4-[3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-propyl]-1,3-dimethyl-imidazol-2-yl]rhodium

化合物記述子(線形表記)

種別プログラムバージョン表記
SMILESACDLabs12.01c1([Rh])n(C)c(c[n+]1C)CC(C(OC)=O)NC(OC(C)(C)C)=O
InChIInChI1.03InChI=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);
InChIKeyInChI1.03UQXOBHGZUZGMJH-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COC(=O)C(Cc1c[n](C)c([Rh])n1C)NC(=O)OC(C)(C)C
SMILESCACTVS3.385COC(=O)C(Cc1c[n](C)c([Rh])n1C)NC(=O)OC(C)(C)C
SMILES_CANONICALOpenEye OEToolkits2.0.7CC(C)(C)OC(=O)NC(CC1=C[N](=C(N1C)[Rh])C)C(=O)OC
SMILESOpenEye OEToolkits2.0.7CC(C)(C)OC(=O)NC(CC1=C[N](=C(N1C)[Rh])C)C(=O)OC

222415

件を2024-07-10に公開中

PDB statisticsPDBj update infoContact PDBjnumon