| Properties | Image |
|---|
| MNX_ID | MNXM108998 |
 |
| reference | chebi:69485 |
| formula | C23H37N3O7S3 |
| global charge | 0 |
| mol weight | 563.764 |
| InChIKey | DISXKJJDDVRQSD-KLMIADJASA-N |
| InChI | InChI=1S/C23H37N3O7S3/c1-4-14(2)21-18(27)12-20(29)33-15-7-5-6-9-34-35-13-17(23(31)26-21)25-22(30)16(8-10-36(3)32)24-19(28)11-15/h5,7,14-18,21,27H,4,6,8-13H2,1-3H3,(H,24,28)(H,25,30)(H,26,31)/b7-5+/t14-,15+,16+,17+,18-,21+,36?/m0/s1 |
| SMILES | CC[C@H](C)[C@H]1NC(=O)[C@H]2CSSCC/C=C/[C@H](CC(=O)N[C@H](CCS(C)=O)C(=O)N2)OC(=O)C[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C23H37N3O7S3/c1-4-14(2)21-18(27)12-20(29)33-15-7-5-6-9-34-35-13-17(23(31)26-21)25-22(30)16(8-10-36(3)32)24-19(28)11-15/h5,7,14-18,21,27H,4,6,8-13H2,1-3H3,(H,24,28)(H,25,30)(H,26,31)/b7-5+/t14-,15+,16+,17+,18-,21+,36?/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][C@H:14]([CH3:2])[C@@H:21]1[C@@H:18]([OH:27])[CH2:12][C:20](=[O:29])[O:33][C@@H:15]2/[CH:7]=[CH:5]/[CH2:6][CH2:9][S:34][S:35][CH2:13][C@H:17]([C:23]([OH:31])=[N:26]1)[N:25]=[C:22]([OH:30])[C@@H:16]([CH2:8][CH2:10][S:36]([CH3:3])=[O:32])[N:24]=[C:19]([OH:28])[CH2:11]2 |
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