| Properties | Image |
|---|
| MNX_ID | MNXM161444 |
 |
| reference | chebi:32190 |
| formula | C23H29ClN2O5S2 |
| global charge | 0 |
| mol weight | 513.081 |
| InChIKey | XDDQNOKKZKHBIX-ASBZXGSUSA-N |
| InChI | InChI=1S/C23H28N2O5S2.ClH/c1-2-30-23(29)17(11-10-16-7-4-3-5-8-16)24-18-15-32-20(19-9-6-12-31-19)13-25(22(18)28)14-21(26)27;/h3-9,12,17-18,20,24H,2,10-11,13-15H2,1H3,(H,26,27);1H/t17-,18-,20-;/m0./s1 |
| SMILES | CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@H]1CS[C@H](C2=CC=CS2)CN(CC(=O)O)C1=O.Cl |
MNX internals
| InChI (mnx) | InChI=1/C23H28N2O5S2.ClH/c1-2-30-23(29)17(11-10-16-7-4-3-5-8-16)24-18-15-32-20(19-9-6-12-31-19)13-25(22(18)28)14-21(26)27;/h3-9,12,17-18,20,24H,2,10-11,13-15H2,1H3,(H,26,27);1H/t17-,18-,20-;/m0./s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:2][O:30][C:23]([C@H:17]([CH2:11][CH2:10][C:16]1=[CH:7][CH:4]=[CH:3][CH:5]=[CH:8]1)[NH:24][C@H:18]1[CH2:15][S:32][C@H:20]([C:19]2=[CH:9][CH:6]=[CH:12][S:31]2)[CH2:13][N:25]([CH2:14][C:21](=[O:26])[OH:27])[C:22]1=[O:28])=[O:29].[ClH:33] |
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