| Properties | Image |
MNX_ID | MNXM743709 |
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reference | keggC:C22134 |
formula | C34H63N4O10PS*2 |
global charge | 0 |
mol weight | |
InChIKey | |
InChI | |
SMILES | [*]NC(=O)[C@H](CCOP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCCCCCCC)NC([*])=O |
MNX internals
InChI (mnx) | InChI=1/C36H69N4O10PS/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(43)52-27-25-38-31(42)22-24-39-35(46)33(44)36(3,4)28-50-51(47,48)49-26-23-30(34(45)37-5)40-29(2)41/h30,33,44H,6-28H2,1-5H3,(H,37,45)(H,38,42)(H,39,46)(H,40,41)(H,47,48)/t30-,33-/m0/s1/i2+1,5+1 |
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SMILES (mnx) | [CH3:1][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][C:32](=[O:43])[S:52][CH2:27][CH2:25][N:38]=[C:31]([CH2:22][CH2:24][N:39]=[C:35]([C@@H:33]([C:36]([CH3:3])([CH3:4])[CH2:28][O:50][P:51]([OH:47])(=[O:48])[O:49][CH2:26][CH2:23][C@@H:30]([C:34](=[N:37][13CH3:5])[OH:45])[N:40]=[C:29]([13CH3:2])[OH:41])[OH:44])[OH:46])[OH:42] |
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