| Properties | Image |
|---|
| MNX_ID | MNXM103778 |
 |
| reference | chebi:65618 |
| formula | C61H45Cl6N7O15 |
| global charge | 0 |
| mol weight | 1328.783 |
| InChIKey | FRRCHJPQSWYJSH-OZICGBTHSA-N |
| InChI | InChI=1S/C61H45Cl6N7O15/c1-74-43(56(82)73-48(61(87)88)25-7-9-31(75)10-8-25)13-24-5-11-32(12-6-24)89-44-22-26-14-35(51(44)77)34-4-2-3-33-30(23-68-49(33)34)21-42(69-59(85)50(76)29-19-40(66)54(80)41(67)20-29)55(81)70-46(27-15-36(62)52(78)37(63)16-27)57(83)71-45(26)58(84)72-47(60(74)86)28-17-38(64)53(79)39(65)18-28/h2-12,14-20,22-23,42-43,45-48,68,75,77-80H,13,21H2,1H3,(H,69,85)(H,70,81)(H,71,83)(H,72,84)(H,73,82)(H,87,88)/t42-,43+,45-,46-,47-,48-/m1/s1 |
| SMILES | CN1C(=O)[C@@H](C2=CC(Cl)=C(O)C(Cl)=C2)NC(=O)[C@@H]2NC(=O)[C@@H](C3=CC(Cl)=C(O)C(Cl)=C3)NC(=O)[C@H](NC(=O)C(=O)C3=CC(Cl)=C(O)C(Cl)=C3)CC3=CNC4=C(C=CC=C34)C3=CC2=CC(=C3O)OC2=CC=C(C=C2)C[C@H]1C(=O)N[C@@H](C(=O)O)C1=CC=C(O)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C61H45Cl6N7O15/c1-74-43(56(82)73-48(61(87)88)25-7-9-31(75)10-8-25)13-24-5-11-32(12-6-24)89-44-22-26-14-35(51(44)77)34-4-2-3-33-30(23-68-49(33)34)21-42(69-59(85)50(76)29-19-40(66)54(80)41(67)20-29)55(81)70-46(27-15-36(62)52(78)37(63)16-27)57(83)71-45(26)58(84)72-47(60(74)86)28-17-38(64)53(79)39(65)18-28/h2-12,14-20,22-23,42-43,45-48,68,75,77-80H,13,21H2,1H3,(H,69,85)(H,70,81)(H,71,83)(H,72,84)(H,73,82)(H,87,88)/t42-,43+,45-,46-,47-,48-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][N:74]1[C@H:43]([C:56](=[N:73][C@H:48]([C:25]2=[CH:8][CH:10]=[C:31]([OH:75])[CH:9]=[CH:7]2)[C:61](=[O:87])[OH:88])[OH:82])[CH2:13][C:24]2=[CH:5][CH:11]=[C:32]([CH:12]=[CH:6]2)[O:89][C:44]2=[C:51]([OH:77])[C:35]3=[CH:14][C:26](=[CH:22]2)[C@H:45]([C:58]([OH:84])=[N:72][C@H:47]([C:28]2=[CH:17][C:38]([Cl:64])=[C:53]([OH:79])[C:39]([Cl:65])=[CH:18]2)[C:60]1=[O:86])[N:71]=[C:57]([OH:83])[C@@H:46]([C:27]1=[CH:15][C:36]([Cl:62])=[C:52]([OH:78])[C:37]([Cl:63])=[CH:16]1)[N:70]=[C:55]([OH:81])[C@H:42]([NH:69][C:59]([C:50]([C:29]1=[CH:19][C:40]([Cl:66])=[C:54]([OH:80])[C:41]([Cl:67])=[CH:20]1)=[O:76])=[O:85])[CH2:21][C:30]1=[CH:23][NH:68][C:49]2=[C:33]1[CH:3]=[CH:2][CH:4]=[C:34]32 |
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