MOLI000895
Molecular Formula:
C50H85GdN4O10
InChI: InChI=1/C50H88N4O10.Gd/c1-36(2)10-9-11-37(3)41-14-15-42-40-13-12-38-30-39(16-18-49(38,4)43(40)17-19-50(41,42)5)64-29-8-6-7-28-63-35-44(45(56)34-55)54-26-24-52(32-47(59)60)22-20-51(31-46(57)58)21-23-53(25-27-54)33-48(61)62;/h12,36-37,39-45,55-56H,6-11,13-35H2,1-5H3,(H,57,58)(H,59,60)(H,61,62);/q;+3/p-3/t37-,39-,40-,41u,42-,43-,44+,45-,49-,50+;/m0./s1/fC50H85N4O10.Gd/q-3;m
InChIKey: InChIKey=JUNJIVYSLAMOEF-HIWHVSSADZ
SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OCCCCCOCC(C(CO)O)N5CCN(CCN(CCN(CC5)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])C)C.[Gd+3]
Names:
MOLI000895
2-[4,10-bis(carboxylatomethyl)-7-[(2R,3S)-1-[5-[[(3S,8S,9S,10R,13R,14S)-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]pentoxy]-3,4-dihydroxy-butan-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]acetate; gadolinium(+3) cation
Registries:
PubChem CID 450454
PubChem ID 875
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|