| Properties | Image |
|---|
| MNX_ID | MNXM1124251 |
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| reference | chebi:161654 |
| formula | C19H24N4O4S |
| global charge | 0 |
| mol weight | 404.492 |
| InChIKey | DTFJUSWYECELTM-BPUTZDHNSA-N |
| InChI | InChI=1S/C19H24N4O4S/c20-13(10-28)18(25)23-7-3-6-16(23)17(24)22-15(19(26)27)8-11-9-21-14-5-2-1-4-12(11)14/h1-2,4-5,9,13,15-16,21,28H,3,6-8,10,20H2,(H,22,24)(H,26,27)/t13-,15-,16-/m0/s1 |
| SMILES | N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C19H24N4O4S/c20-13(10-28)18(25)23-7-3-6-16(23)17(24)22-15(19(26)27)8-11-9-21-14-5-2-1-4-12(11)14/h1-2,4-5,9,13,15-16,21,28H,3,6-8,10,20H2,(H,22,24)(H,26,27)/t13-,15-,16-/m0/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:2][CH:5]=[C:14]2[C:12](=[CH:4]1)[C:11]([CH2:8][C@@H:15]([C:19](=[O:26])[OH:27])[N:22]=[C:17]([C@@H:16]1[CH2:6][CH2:3][CH2:7][N:23]1[C:18]([C@H:13]([CH2:10][SH:28])[NH2:20])=[O:25])[OH:24])=[CH:9][NH:21]2 |
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