| Properties | Image |
|---|
| MNX_ID | MNXM729767 |
 |
| reference | chebi:5548 |
| formula | C30H49N3O10S |
| global charge | 0 |
| mol weight | 643.8 |
| InChIKey | MZFPLZIEMXJRPW-YOSZFRDTSA-N |
| InChI | InChI=1S/C20H32O4.C10H17N3O6S/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24;11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h12-18,21H,2-11H2,1H3,(H,23,24);5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/b14-12+;/t16-,17-,18+;5-,6-/m00/s1 |
| SMILES | CCCCC[C@H](O)/C=C/[C@H]1C=CC(=O)[C@@H]1CCCCCCC(=O)O.N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C20H32O4.C10H17N3O6S/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24;11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h12-18,21H,2-11H2,1H3,(H,23,24);5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/b14-12+;/t16-,17-,18+;5-,6-/m00/s1 |
 |
| SMILES (mnx) | [CH2:25]([CH2:26][C:31](=[N:37][C@@H:30]([CH2:28][SH:44])[C:33](=[N:36][CH2:27][C:32](=[O:39])[OH:40])[OH:41])[OH:38])[C@@H:29]([C:34](=[O:42])[OH:43])[NH2:35].[CH3:1][CH2:2][CH2:3][CH2:6][CH2:9][C@@H:17](/[CH:14]=[CH:12]/[C@H:16]1[CH:13]=[CH:15][C:19](=[O:22])[C@@H:18]1[CH2:10][CH2:7][CH2:4][CH2:5][CH2:8][CH2:11][C:20](=[O:23])[OH:24])[OH:21] |
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