| Properties | Image |
| MNX_ID | MNXM1125783 |
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| reference | chebi:163196 |
| formula | C15H25N3O6S |
| global charge | 0 |
| mol weight | 375.447 |
| InChIKey | ZKONLKQGTNVAPR-DCAQKATOSA-N |
| InChI | InChI=1S/C15H25N3O6S/c1-25-8-6-10(15(23)24)17-13(21)11-3-2-7-18(11)14(22)9(16)4-5-12(19)20/h9-11H,2-8,16H2,1H3,(H,17,21)(H,19,20)(H,23,24)/t9-,10-,11-/m0/s1 |
| SMILES | CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC(=O)O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C15H25N3O6S/c1-25-8-6-10(15(23)24)17-13(21)11-3-2-7-18(11)14(22)9(16)4-5-12(19)20/h9-11H,2-8,16H2,1H3,(H,17,21)(H,19,20)(H,23,24)/t9-,10-,11-/m0/s1 |
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| SMILES (mnx) | [CH3:1][S:25][CH2:8][CH2:6][C@@H:10]([C:15](=[O:23])[OH:24])[N:17]=[C:13]([C@@H:11]1[CH2:3][CH2:2][CH2:7][N:18]1[C:14]([C@H:9]([CH2:4][CH2:5][C:12](=[O:19])[OH:20])[NH2:16])=[O:22])[OH:21] |
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