| Properties | Image |
|---|
| MNX_ID | MNXM1120477 |
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| reference | chebi:157811 |
| formula | C15H23N5O6S |
| global charge | 0 |
| mol weight | 401.445 |
| InChIKey | XDIVYNSPYBLSME-DCAQKATOSA-N |
| InChI | InChI=1S/C15H23N5O6S/c1-27-3-2-10(14(24)20-11(15(25)26)5-12(21)22)19-13(23)9(16)4-8-6-17-7-18-8/h6-7,9-11H,2-5,16H2,1H3,(H,17,18)(H,19,23)(H,20,24)(H,21,22)(H,25,26)/t9-,10-,11-/m0/s1 |
| SMILES | CSCC[C@H](NC(=O)[C@@H](N)CC1=CN=CN1)C(=O)N[C@@H](CC(=O)O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C15H23N5O6S/c1-27-3-2-10(14(24)20-11(15(25)26)5-12(21)22)19-13(23)9(16)4-8-6-17-7-18-8/h6-7,9-11H,2-5,16H2,1H3,(H,17,18)(H,19,23)(H,20,24)(H,21,22)(H,25,26)/t9-,10-,11-/m0/s1 |
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| SMILES (mnx) | [CH3:1][S:27][CH2:3][CH2:2][C@@H:10]([C:14](=[N:20][C@@H:11]([CH2:5][C:12](=[O:21])[OH:22])[C:15](=[O:25])[OH:26])[OH:24])[N:19]=[C:13]([C@H:9]([CH2:4][C:8]1=[CH:6][N:17]=[CH:7][NH:18]1)[NH2:16])[OH:23] |
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