| Properties | Image |
|---|
| MNX_ID | MNXM1123934 |
 |
| reference | chebi:161336 |
| formula | C19H24N4O6S |
| global charge | 0 |
| mol weight | 436.49 |
| InChIKey | GOKFTBDYUJCCSN-QEJZJMRPSA-N |
| InChI | InChI=1S/C19H24N4O6S/c20-12(9-30)17(26)22-14(5-6-16(24)25)18(27)23-15(19(28)29)7-10-8-21-13-4-2-1-3-11(10)13/h1-4,8,12,14-15,21,30H,5-7,9,20H2,(H,22,26)(H,23,27)(H,24,25)(H,28,29)/t12-,14-,15-/m0/s1 |
| SMILES | N[C@@H](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C19H24N4O6S/c20-12(9-30)17(26)22-14(5-6-16(24)25)18(27)23-15(19(28)29)7-10-8-21-13-4-2-1-3-11(10)13/h1-4,8,12,14-15,21,30H,5-7,9,20H2,(H,22,26)(H,23,27)(H,24,25)(H,28,29)/t12-,14-,15-/m0/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:13]2[C:11](=[CH:3]1)[C:10]([CH2:7][C@@H:15]([C:19](=[O:28])[OH:29])[N:23]=[C:18]([C@H:14]([CH2:5][CH2:6][C:16](=[O:24])[OH:25])[N:22]=[C:17]([C@H:12]([CH2:9][SH:30])[NH2:20])[OH:26])[OH:27])=[CH:8][NH:21]2 |
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