| Properties | Image |
| MNX_ID | MNXM1126318 |
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| reference | chebi:163732 |
| formula | C13H21N5O4S |
| global charge | 0 |
| mol weight | 343.409 |
| InChIKey | UUWOBINZFGTFMS-UWVGGRQHSA-N |
| InChI | InChI=1S/C13H21N5O4S/c1-23-3-2-9(13(21)22)18-12(20)10(17-11(19)5-14)4-8-6-15-7-16-8/h6-7,9-10H,2-5,14H2,1H3,(H,15,16)(H,17,19)(H,18,20)(H,21,22)/t9-,10-/m0/s1 |
| SMILES | CSCC[C@H](NC(=O)[C@H](CC1=CN=CN1)NC(=O)CN)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C13H21N5O4S/c1-23-3-2-9(13(21)22)18-12(20)10(17-11(19)5-14)4-8-6-15-7-16-8/h6-7,9-10H,2-5,14H2,1H3,(H,15,16)(H,17,19)(H,18,20)(H,21,22)/t9-,10-/m0/s1 |
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| SMILES (mnx) | [CH3:1][S:23][CH2:3][CH2:2][C@@H:9]([C:13](=[O:21])[OH:22])[N:18]=[C:12]([C@H:10]([CH2:4][C:8]1=[CH:6][N:15]=[CH:7][NH:16]1)[N:17]=[C:11]([CH2:5][NH2:14])[OH:19])[OH:20] |
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