| Properties | Image |
|---|
| MNX_ID | MNXM10826 |
 |
| reference | chebi:80570 |
| formula | C30H54N10O10S2 |
| global charge | 0 |
| mol weight | 778.956 |
| InChIKey | DPWWQTWIXQZMCE-CMOCDZPBSA-N |
| InChI | InChI=1S/C30H54N10O10S2/c31-19(29(47)48)5-7-23(41)39-21-17-51-52-18-22(40-24(42)8-6-20(32)30(49)50)28(46)38-16-26(44)36-14-4-12-34-10-2-1-9-33-11-3-13-35-25(43)15-37-27(21)45/h19-22,33-34H,1-18,31-32H2,(H,35,43)(H,36,44)(H,37,45)(H,38,46)(H,39,41)(H,40,42)(H,47,48)(H,49,50)/t19-,20-,21-,22-/m0/s1 |
| SMILES | N[C@@H](CCC(=O)N[C@H]1CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)NCCCNCCCCNCCCNC(=O)CNC1=O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C30H54N10O10S2/c31-19(29(47)48)5-7-23(41)39-21-17-51-52-18-22(40-24(42)8-6-20(32)30(49)50)28(46)38-16-26(44)36-14-4-12-34-10-2-1-9-33-11-3-13-35-25(43)15-37-27(21)45/h19-22,33-34H,1-18,31-32H2,(H,35,43)(H,36,44)(H,37,45)(H,38,46)(H,39,41)(H,40,42)(H,47,48)(H,49,50)/t19-,20-,21-,22-/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]1[CH2:2][CH2:10][NH:34][CH2:12][CH2:4][CH2:14][N:36]=[C:26]([OH:44])[CH2:16][N:38]=[C:28]([OH:46])[C@@H:22]([N:40]=[C:24]([CH2:8][CH2:6][C@@H:20]([C:30](=[O:49])[OH:50])[NH2:32])[OH:42])[CH2:18][S:52][S:51][CH2:17][C@H:21]([N:39]=[C:23]([CH2:7][CH2:5][C@@H:19]([C:29](=[O:47])[OH:48])[NH2:31])[OH:41])[C:27]([OH:45])=[N:37][CH2:15][C:25]([OH:43])=[N:35][CH2:13][CH2:3][CH2:11][NH:33][CH2:9]1 |
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