| Properties | Image |
|---|
| MNX_ID | MNXM819765 |
 |
| reference | sabiorkM:31054 |
| formula | C50H65N13O24 |
| global charge | 0 |
| mol weight | 1232.137 |
| InChIKey | WTVCSOOLSVJYJR-BCEXBDPWSA-N |
| InChI | InChI=1S/C50H65N13O24/c51-50-60-40-39(42(73)61-50)63-21-62(20-24(63)19-52-40)23-3-1-22(2-4-23)41(72)59-31(49(86)87)10-17-37(69)57-29(47(82)83)8-15-35(67)55-27(45(78)79)6-13-33(65)53-25(43(74)75)5-12-32(64)54-26(44(76)77)7-14-34(66)56-28(46(80)81)9-16-36(68)58-30(48(84)85)11-18-38(70)71/h1-4,24-31H,5-21H2,(H,53,65)(H,54,64)(H,55,67)(H,56,66)(H,57,69)(H,58,68)(H,59,72)(H,70,71)(H,74,75)(H,76,77)(H,78,79)(H,80,81)(H,82,83)(H,84,85)(H,86,87)(H4,51,52,60,61,73)/t24-,25+,26+,27+,28+,29+,30+,31+/m0/s1 |
| SMILES | N=C1N=C(O)C2=C(NC[C@H]3CN(C4=CC=C(C(=O)N[C@H](CCC(O)=N[C@H](CCC(O)=N[C@H](CCC(O)=N[C@H](CCC(O)=N[C@H](CCC(O)=N[C@H](CCC(O)=N[C@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C=C4)CN23)N1 |
MNX internals
| InChI (mnx) | InChI=1/C50H65N13O24/c51-50-60-40-39(42(73)61-50)63-21-62(20-24(63)19-52-40)23-3-1-22(2-4-23)41(72)59-31(49(86)87)10-17-37(69)57-29(47(82)83)8-15-35(67)55-27(45(78)79)6-13-33(65)53-25(43(74)75)5-12-32(64)54-26(44(76)77)7-14-34(66)56-28(46(80)81)9-16-36(68)58-30(48(84)85)11-18-38(70)71/h1-4,24-31H,5-21H2,(H,53,65)(H,54,64)(H,55,67)(H,56,66)(H,57,69)(H,58,68)(H,59,72)(H,70,71)(H,74,75)(H,76,77)(H,78,79)(H,80,81)(H,82,83)(H,84,85)(H,86,87)(H4,51,52,60,61,73)/t24-,25+,26+,27+,28+,29+,30+,31+/m0/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:3][C:23]([N:62]2[CH2:20][C@@H:24]3[CH2:19][NH:52][C:40]4=[C:39]([C:42]([OH:73])=[N:61][C:50](=[NH:51])[NH:60]4)[N:63]3[CH2:21]2)=[CH:4][CH:2]=[C:22]1[C:41]([NH:59][C@H:31]([CH2:10][CH2:17][C:37](=[N:57][C@H:29]([CH2:8][CH2:15][C:35](=[N:55][C@H:27]([CH2:6][CH2:13][C:33](=[N:53][C@H:25]([CH2:5][CH2:12][C:32](=[N:54][C@H:26]([CH2:7][CH2:14][C:34](=[N:56][C@H:28]([CH2:9][CH2:16][C:36](=[N:58][C@H:30]([CH2:11][CH2:18][C:38](=[O:70])[OH:71])[C:48](=[O:84])[OH:85])[OH:68])[C:46](=[O:80])[OH:81])[OH:66])[C:44](=[O:76])[OH:77])[OH:64])[C:43](=[O:74])[OH:75])[OH:65])[C:45](=[O:78])[OH:79])[OH:67])[C:47](=[O:82])[OH:83])[OH:69])[C:49](=[O:86])[OH:87])=[O:72] |
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