| Properties | Image |
|---|
| MNX_ID | MNXM1123785 |
 |
| reference | chebi:161187 |
| formula | C19H29N3O5S2 |
| global charge | 0 |
| mol weight | 443.591 |
| InChIKey | WOGNGBROIHHFAO-JYJNAYRXSA-N |
| InChI | InChI=1S/C19H29N3O5S2/c1-28-9-7-14(20)17(24)22-16(11-12-3-5-13(23)6-4-12)18(25)21-15(19(26)27)8-10-29-2/h3-6,14-16,23H,7-11,20H2,1-2H3,(H,21,25)(H,22,24)(H,26,27)/t14-,15-,16-/m0/s1 |
| SMILES | CSCC[C@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](N)CCSC)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C19H29N3O5S2/c1-28-9-7-14(20)17(24)22-16(11-12-3-5-13(23)6-4-12)18(25)21-15(19(26)27)8-10-29-2/h3-6,14-16,23H,7-11,20H2,1-2H3,(H,21,25)(H,22,24)(H,26,27)/t14-,15-,16-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][S:28][CH2:9][CH2:7][C@@H:14]([C:17](=[N:22][C@@H:16]([CH2:11][C:12]1=[CH:4][CH:6]=[C:13]([OH:23])[CH:5]=[CH:3]1)[C:18](=[N:21][C@@H:15]([CH2:8][CH2:10][S:29][CH3:2])[C:19](=[O:26])[OH:27])[OH:25])[OH:24])[NH2:20] |
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