| Properties | Image |
|---|
| MNX_ID | MNXM1123723 |
 |
| reference | chebi:161125 |
| formula | C19H26N4O4S |
| global charge | 0 |
| mol weight | 406.508 |
| InChIKey | TUZSWDCTCGTVDJ-PJODQICGSA-N |
| InChI | InChI=1S/C19H26N4O4S/c1-11(19(26)27)22-18(25)16(23-17(24)14(20)7-8-28-2)9-12-10-21-15-6-4-3-5-13(12)15/h3-6,10-11,14,16,21H,7-9,20H2,1-2H3,(H,22,25)(H,23,24)(H,26,27)/t11-,14-,16-/m0/s1 |
| SMILES | CSCC[C@H](N)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](C)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C19H26N4O4S/c1-11(19(26)27)22-18(25)16(23-17(24)14(20)7-8-28-2)9-12-10-21-15-6-4-3-5-13(12)15/h3-6,10-11,14,16,21H,7-9,20H2,1-2H3,(H,22,25)(H,23,24)(H,26,27)/t11-,14-,16-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:11]([C:19](=[O:26])[OH:27])[N:22]=[C:18]([C@H:16]([CH2:9][C:12]1=[CH:10][NH:21][C:15]2=[CH:6][CH:4]=[CH:3][CH:5]=[C:13]12)[N:23]=[C:17]([C@H:14]([CH2:7][CH2:8][S:28][CH3:2])[NH2:20])[OH:24])[OH:25] |
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