| Properties | Image |
|---|
| MNX_ID | MNXM155072 |
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| reference | chebi:70743 |
| formula | C35H45N7O8S |
| global charge | 0 |
| mol weight | 723.853 |
| InChIKey | XETBXHPXHHOLOE-UHFFFAOYSA-N |
| InChI | InChI=1S/C34H41N7O5.CH4O3S/c1-4-6-7-10-21-46-34(44)39-32(35)24-12-15-26(16-13-24)37-23-30-38-27-22-25(14-17-28(27)40(30)3)33(43)41(20-18-31(42)45-5-2)29-11-8-9-19-36-29;1-5(2,3)4/h8-9,11-17,19,22,37H,4-7,10,18,20-21,23H2,1-3H3,(H2,35,39,44);1H3,(H,2,3,4) |
| SMILES | CCCCCCOC(=O)/N=C(/N)C1=CC=C(NCC2=NC3=C(C=CC(C(=O)N(CCC(=O)OCC)C4=NC=CC=C4)=C3)N2C)C=C1.CS(=O)(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C34H41N7O5.CH4O3S/c1-4-6-7-10-21-46-34(44)39-32(35)24-12-15-26(16-13-24)37-23-30-38-27-22-25(14-17-28(27)40(30)3)33(43)41(20-18-31(42)45-5-2)29-11-8-9-19-36-29;1-5(2,3)4/h8-9,11-17,19,22,37H,4-7,10,18,20-21,23H2,1-3H3,(H2,35,39,44);1H3,(H,2,3,4) |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:6][CH2:7][CH2:10][CH2:21][O:46][C:34]([N:39]=[C:32]([C:24]1=[CH:13][CH:16]=[C:26]([NH:37][CH2:23][C:30]2=[N:38][C:27]3=[C:28]([CH:17]=[CH:14][C:25]([C:33]([N:41]([CH2:20][CH2:18][C:31](=[O:42])[O:45][CH2:5][CH3:2])[C:29]4=[CH:11][CH:8]=[CH:9][CH:19]=[N:36]4)=[O:43])=[CH:22]3)[N:40]2[CH3:3])[CH:15]=[CH:12]1)[NH2:35])=[O:44].[CH3:47][S:51]([OH:48])(=[O:49])=[O:50] |
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