| Properties | Image |
| MNX_ID | MNXM1123525 |
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| reference | chebi:160926 |
| formula | C13H25N3O4S2 |
| global charge | 0 |
| mol weight | 351.494 |
| InChIKey | FMYLZGQFKPHXHI-GUBZILKMSA-N |
| InChI | InChI=1S/C13H25N3O4S2/c1-8(13(19)20)15-12(18)10(5-7-22-3)16-11(17)9(14)4-6-21-2/h8-10H,4-7,14H2,1-3H3,(H,15,18)(H,16,17)(H,19,20)/t8-,9-,10-/m0/s1 |
| SMILES | CSCC[C@H](NC(=O)[C@@H](N)CCSC)C(=O)N[C@@H](C)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C13H25N3O4S2/c1-8(13(19)20)15-12(18)10(5-7-22-3)16-11(17)9(14)4-6-21-2/h8-10H,4-7,14H2,1-3H3,(H,15,18)(H,16,17)(H,19,20)/t8-,9-,10-/m0/s1 |
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| SMILES (mnx) | [CH3:1][C@@H:8]([C:13](=[O:19])[OH:20])[N:15]=[C:12]([C@H:10]([CH2:5][CH2:7][S:22][CH3:3])[N:16]=[C:11]([C@H:9]([CH2:4][CH2:6][S:21][CH3:2])[NH2:14])[OH:17])[OH:18] |
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