MAC glucuronide phenol-linked SN-38(2246380-69-6)名称与标识符
名称
英文别名:
MAC glucuronide phenol-linked SN-38;CID 156588615;AKOS040743767;MS-31951;2246380-69-6;CS-0102761;HY-128943;SCHEMBL24978656;CID 139035092;(2S,3S,4S,5R,6S)-6-[4-[[[(19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl]oxymethyl-(2-methylsulfonylethyl)carbamoyl]oxymethyl]-2-[[2-[3-(2,5-dioxopyrrol-1-yl)propanoyl-methylamino]acetyl]amino]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;G17037;
标识符
InChIKey:
FWZXQYUFOHOISC-UUENOOSASA-N
Inchi:
1S/C50H52N6O20S/c1-5-27-28-18-26(8-9-32(28)52-40-29(27)20-56-34(40)19-31-30(45(56)64)23-72-48(67)50(31,69)6-2)74-24-54(15-16-77(4,70)71)49(68)73-22-25-7-10-35(75-47-43(63)41(61)42(62)44(76-47)46(65)66)33(17-25)51-36(57)21-53(3)37(58)13-14-55-38(59)11-12-39(55)60/h7-12,17-19,42-44,61-63,69H,5-6,13-16,20-24H2,1-4H3,(H,51,57)(H,65,66)/t42-,43+,44-,50-/m0/s1
SMILES:
S(C)(CCN(C(=O)OCC1C=CC(=C(C=1)NC(CN(C)C(CCN1C(C=CC1=O)=O)=O)=O)O[C]1[C@@H]([C]([C@@H]([C@@H](C(=O)O)O1)O)O)O)COC1C=CC2=C(C=1)C(CC)=C1C(C3=CC4=C(COC([C@@]4(CC)O)=O)C(N3C1)=O)=N2)(=O)=O |^1:33,35|