| Properties | Image |
|---|
| MNX_ID | MNXM11829 |
 |
| reference | chebi:80573 |
| formula | C28H49N9O10S2 |
| global charge | 0 |
| mol weight | 735.887 |
| InChIKey | RNFGJWAPSRFYAS-MUGJNUQGSA-N |
| InChI | InChI=1S/C28H49N9O10S2/c29-17(27(44)45)5-7-21(38)36-19-15-48-49-16-20(37-22(39)8-6-18(30)28(46)47)26(43)35-14-24(41)33-12-4-10-31-9-2-1-3-11-32-23(40)13-34-25(19)42/h17-20,31H,1-16,29-30H2,(H,32,40)(H,33,41)(H,34,42)(H,35,43)(H,36,38)(H,37,39)(H,44,45)(H,46,47)/t17-,18-,19-,20-/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)NCCCNCCCCCNC(=O)CNC1=O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C28H49N9O10S2/c29-17(27(44)45)5-7-21(38)36-19-15-48-49-16-20(37-22(39)8-6-18(30)28(46)47)26(43)35-14-24(41)33-12-4-10-31-9-2-1-3-11-32-23(40)13-34-25(19)42/h17-20,31H,1-16,29-30H2,(H,32,40)(H,33,41)(H,34,42)(H,35,43)(H,36,38)(H,37,39)(H,44,45)(H,46,47)/t17-,18-,19-,20-/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]1[CH2:2][CH2:9][NH:31][CH2:10][CH2:4][CH2:12][N:33]=[C:24]([OH:41])[CH2:14][N:35]=[C:26]([OH:43])[C@@H:20]([N:37]=[C:22]([CH2:8][CH2:6][C@@H:18]([C:28](=[O:46])[OH:47])[NH2:30])[OH:39])[CH2:16][S:49][S:48][CH2:15][C@H:19]([N:36]=[C:21]([CH2:7][CH2:5][C@@H:17]([C:27](=[O:44])[OH:45])[NH2:29])[OH:38])[C:25]([OH:42])=[N:34][CH2:13][C:23]([OH:40])=[N:32][CH2:11][CH2:3]1 |
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