이름: Acetic acid {3-[3-(acetyl-{3,5-bis-[(2,2-dimethyl-[1,3]dioxolan-4-ylmethyl)-carbamoyl]-2,4,6-triiodo-phenyl}-amino)-2-hydroxy-propylcarbamoyl]-5-[(2,2-dimethyl-[1,3]dioxolan-4-ylmethyl)-carbamoyl]-2,4,6-triiodo-phenylcarbamoyl}-methyl ester
IUPAC: [2-[3-[[3-[N-acetyl-3,5-bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methylcarbamoyl]-2,4,6-triiodoanilino]-2-hydroxypropyl]carbamoyl]-5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylcarbamoyl]-2,4,6-triiodoanilino]-2-oxoethyl] acetate
SMILES:
CC(=O)OCC(=O)Nc1c(I)c(C(=O)NCC(O)CN(C(C)=O)c2c(I)c(C(=O)NCC3COC(C)(C)O3)c(I)c(C(=O)NCC3COC(C)(C)O3)c2I)c(I)c(C(=O)NCC2COC(C)(C)O2)c1ICanonical SMILES:
CC(=O)N(CC(CNC(=O)C1=C(C(=C(C(=C1I)C(=O)NCC2COC(O2)(C)C)I)NC(=O)COC(=O)C)I)O)C3=C(C(=C(C(=C3I)C(=O)NCC4COC(O4)(C)C)I)C(=O)NCC5COC(O5)(C)C)I분자식: C43H52I6N6O15
분자량: 1654.30
InChIKey: JSOQXUIVISWOHY-UHFFFAOYSA-N
InChI:
PubChem CID: 86645259 →InChI=1S/C43H52I6N6O15/c1-18(56)55(36-33(48)27(39(62)52-11-22-15-66-42(5,6)69-22)30(45)28(34(36)49)40(63)53-12-23-16-67-43(7,8)70-23)13-20(58)9-50-37(60)25-29(44)26(38(61)51-10-21-14-65-41(3,4)68-21)32(47)35(31(25)46)54-24(59)17-64-19(2)57/h20-23,58H,9-17H2,1-8H3,(H,50,60)(H,51,61)(H,52,62)(H,53,63)(H,54,59)동의어
JSOQXUIVISWOHY-UHFFFAOYSA-Nacetic acid {3-[3-(acetyl-{3,5-bis-[(2,2-dimethyl-[1,3]dioxolan-4-ylmethyl)-carbamoyl]-2,4,6-triiodo-phenyl}-amino)-2-hydroxy-propylcarbamoyl]-5-[(2,2-dimethyl-[1,3]dioxolan-4-ylmethyl)-carbamoyl]-2,4,6-triiodo-phenylcarbamoyl}-methyl ester
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