| Properties | Image |
|---|
| MNX_ID | MNXM162248 |
 |
| reference | biggM:HC02201 |
| formula | C23H27Cl2N3O9S |
| global charge | 0 |
| mol weight | 592.454 |
| InChIKey | BIJQYNCUDQBFTN-KBPBESRZSA-N |
| InChI | InChI=1S/C23H27Cl2N3O9S/c1-3-11(2)21(33)12-4-6-15(20(25)19(12)24)37-9-18(32)38-10-14(22(34)27-8-17(30)31)28-16(29)7-5-13(26)23(35)36/h4,6,13-14H,2-3,5,7-10,26H2,1H3,(H,27,34)(H,28,29)(H,30,31)(H,35,36)/t13-,14-/m0/s1 |
| SMILES | C=C(CC)C(=O)C1=C(Cl)C(Cl)=C(OCC(=O)SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C23H27Cl2N3O9S/c1-3-11(2)21(33)12-4-6-15(20(25)19(12)24)37-9-18(32)38-10-14(22(34)27-8-17(30)31)28-16(29)7-5-13(26)23(35)36/h4,6,13-14H,2-3,5,7-10,26H2,1H3,(H,27,34)(H,28,29)(H,30,31)(H,35,36)/t13-,14-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][C:11](=[CH2:2])[C:21]([C:12]1=[C:19]([Cl:24])[C:20]([Cl:25])=[C:15]([O:37][CH2:9][C:18](=[O:32])[S:38][CH2:10][C@@H:14]([C:22](=[N:27][CH2:8][C:17](=[O:30])[OH:31])[OH:34])[N:28]=[C:16]([CH2:7][CH2:5][C@@H:13]([C:23](=[O:35])[OH:36])[NH2:26])[OH:29])[CH:6]=[CH:4]1)=[O:33] |
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