| Properties | Image |
|---|
| MNX_ID | MNXM1132218 |
 |
| reference | metacycM:CPD-22794 |
| formula | C37H46N8O6S2 |
| global charge | 0 |
| mol weight | 762.959 |
| InChIKey | CFXBLGFMQUFLKS-MOUMKGTBSA-N |
| InChI | InChI=1S/C37H46N8O6S2/c1-8-18(4)27-35-45-29(21(7)51-35)33(49)39-23(14-22-12-10-9-11-13-22)37-41-25(16-53-37)30(46)42-26(17(2)3)34-44-28(20(6)50-34)32(48)38-19(5)36-40-24(15-52-36)31(47)43-27/h9-13,15-21,23,26-29H,8,14H2,1-7H3,(H,38,48)(H,39,49)(H,42,46)(H,43,47)/t18-,19-,20+,21+,23-,26-,27-,28-,29-/m0/s1 |
| SMILES | CC[C@H](C)[C@@H]1NC(=O)C2=CSC(=N2)[C@H](C)NC(=O)[C@H]2N=C(O[C@@H]2C)[C@H](C(C)C)NC(=O)C2=CSC(=N2)[C@H](CC2=CC=CC=C2)NC(=O)[C@H]2N=C1O[C@@H]2C |
MNX internals
| InChI (mnx) | InChI=1/C37H46N8O6S2/c1-8-18(4)27-35-45-29(21(7)51-35)33(49)39-23(14-22-12-10-9-11-13-22)37-41-25(16-53-37)30(46)42-26(17(2)3)34-44-28(20(6)50-34)32(48)38-19(5)36-40-24(15-52-36)31(47)43-27/h9-13,15-21,23,26-29H,8,14H2,1-7H3,(H,38,48)(H,39,49)(H,42,46)(H,43,47)/t18-,19-,20+,21+,23-,26-,27-,28-,29-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:8][C@H:18]([CH3:4])[C@H:27]1[C:35]2=[N:45][C@@H:29]([C@@H:21]([CH3:7])[O:51]2)[C:33]([OH:49])=[N:39][C@@H:23]([CH2:14][C:22]2=[CH:12][CH:10]=[CH:9][CH:11]=[CH:13]2)[C:37]2=[N:41][C:25](=[CH:16][S:53]2)[C:30]([OH:46])=[N:42][C@@H:26]([CH:17]([CH3:2])[CH3:3])[C:34]2=[N:44][C@@H:28]([C@@H:20]([CH3:6])[O:50]2)[C:32]([OH:48])=[N:38][C@@H:19]([CH3:5])[C:36]2=[N:40][C:24](=[CH:15][S:52]2)[C:31]([OH:47])=[N:43]1 |
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