3-{10,15-Bis[1,2-bis(carboranylcarbonyloxy)ethyl]-20-(2-carboxyethyl)-5,9,14,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1<3,6>.1<8,11>.1<13,16>]tetracosa-1,3(22),4,6,8,10,12,14,16(24),17,19-undecaen-4-yl}propanoic acid, colbat salt

化合物标识与属性

PubChem CID

6335025

SMILES

[B]1[B][B]C([B]1)[B]B(C2[B][B][B][B]2)C(=O)OCC(C3=C(C4=NC3=CC5=C(C(=C([N-]5)C=C6C(=C(C(=CC7=NC(=C4)C(=C7C)C(COC(=O)B([B]C8[B][B][B][B]8)C9[B][B][B][B]9)OC(=O)B([B]C1[B][B][B][B]1)C1[B][B][B][B]1)[N-]6)C)CCC(=O)O)CCC(=O)O)C)C)OC(=O)B([B]C1[B][B][B][B]1)C1[B][B][B][B]1.[Co+2]

Canonical SMILES

CC1=C(C(COC(=O)B([B]C2[B][B][B][B]2)C2[B][B][B][B]2)OC(=O)B([B]C2[B][B][B][B]2)C2[B][B][B][B]2)c2cc3nc(cc4[n-]c(cc5[n-]c(cc1n2)c(C)c5CCC(=O)O)c(CCC(=O)O)c4C)C(C(COC(=O)B([B]C1[B][B][B][B]1)C1[B][B][B][B]1)OC(=O)B([B]C1[B][B][B][B]1)C1[B][B][B][B]1)=C3C.[Co+2]