| Properties | Image |
|---|
| MNX_ID | MNXM161272 |
 |
| reference | keggD:D03765 |
| formula | C22H31ClN2O5S2 |
| global charge | 0 |
| mol weight | 503.086 |
| InChIKey | CLDOLNORSLLQDI-OOAIBONUSA-N |
| InChI | InChI=1S/C22H30N2O5S2.ClH/c1-3-29-21(28)17(10-9-16-7-5-4-6-8-16)23-15(2)19(25)24-14-22(30-11-12-31-22)13-18(24)20(26)27;/h4-8,15,17-18,23H,3,9-14H2,1-2H3,(H,26,27);1H/t15-,17-,18-;/m0./s1 |
| SMILES | CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N1CC2(C[C@H]1C(=O)O)SCCS2.Cl |
MNX internals
| InChI (mnx) | InChI=1/C22H30N2O5S2.ClH/c1-3-29-21(28)17(10-9-16-7-5-4-6-8-16)23-15(2)19(25)24-14-22(30-11-12-31-22)13-18(24)20(26)27;/h4-8,15,17-18,23H,3,9-14H2,1-2H3,(H,26,27);1H/t15-,17-,18-;/m0./s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][O:29][C:21]([C@H:17]([CH2:10][CH2:9][C:16]1=[CH:7][CH:5]=[CH:4][CH:6]=[CH:8]1)[NH:23][C@@H:15]([CH3:2])[C:19]([N:24]1[CH2:14][C:22]2([CH2:13][C@H:18]1[C:20](=[O:26])[OH:27])[S:30][CH2:11][CH2:12][S:31]2)=[O:25])=[O:28].[ClH:32] |
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