| Properties | Image |
|---|
| MNX_ID | MNXM104007 |
 |
| reference | chebi:65655 |
| formula | C61H45Cl6N7O16 |
| global charge | 0 |
| mol weight | 1344.782 |
| InChIKey | ZFUGTFLRENMBAG-HYTWXIRXSA-N |
| InChI | InChI=1S/C61H45Cl6N7O16/c1-74-43(56(83)73-48(61(88)89)24-4-7-30(75)8-5-24)12-23-2-9-31(10-3-23)90-44-21-26-13-33(50(44)77)25-6-11-32-34(54(81)68-41(32)20-25)22-42(69-59(86)49(76)29-18-39(66)53(80)40(67)19-29)55(82)70-46(27-14-35(62)51(78)36(63)15-27)57(84)71-45(26)58(85)72-47(60(74)87)28-16-37(64)52(79)38(65)17-28/h2-11,13-21,34,42-43,45-48,75,77-80H,12,22H2,1H3,(H,68,81)(H,69,86)(H,70,82)(H,71,84)(H,72,85)(H,73,83)(H,88,89)/t34?,42-,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)CC3C(=O)NC4=CC(=CC=C43)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/C61H45Cl6N7O16/c1-74-43(56(83)73-48(61(88)89)24-4-7-30(75)8-5-24)12-23-2-9-31(10-3-23)90-44-21-26-13-33(50(44)77)25-6-11-32-34(54(81)68-41(32)20-25)22-42(69-59(86)49(76)29-18-39(66)53(80)40(67)19-29)55(82)70-46(27-14-35(62)51(78)36(63)15-27)57(84)71-45(26)58(85)72-47(60(74)87)28-16-37(64)52(79)38(65)17-28/h2-11,13-21,34,42-43,45-48,75,77-80H,12,22H2,1H3,(H,68,81)(H,69,86)(H,70,82)(H,71,84)(H,72,85)(H,73,83)(H,88,89)/t34?,42-,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:24]2=[CH:5][CH:8]=[C:30]([OH:75])[CH:7]=[CH:4]2)[C:61](=[O:88])[OH:89])[OH:83])[CH2:12][C:23]2=[CH:2][CH:9]=[C:31]([CH:10]=[CH:3]2)[O:90][C:44]2=[C:50]([OH:77])[C:33]3=[CH:13][C:26](=[CH:21]2)[C@H:45]([C:58]([OH:85])=[N:72][C@H:47]([C:28]2=[CH:16][C:37]([Cl:64])=[C:52]([OH:79])[C:38]([Cl:65])=[CH:17]2)[C:60]1=[O:87])[N:71]=[C:57]([OH:84])[C@@H:46]([C:27]1=[CH:14][C:35]([Cl:62])=[C:51]([OH:78])[C:36]([Cl:63])=[CH:15]1)[N:70]=[C:55]([OH:82])[C@H:42]([NH:69][C:59]([C:49]([C:29]1=[CH:18][C:39]([Cl:66])=[C:53]([OH:80])[C:40]([Cl:67])=[CH:19]1)=[O:76])=[O:86])[CH2:22][CH:34]1[C:32]2=[CH:11][CH:6]=[C:25]3[CH:20]=[C:41]2[N:68]=[C:54]1[OH:81] |
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