| Properties | Image |
| MNX_ID | MNXM1123370 |
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| reference | chebi:160771 |
| formula | C14H25N3O6S2 |
| global charge | 0 |
| mol weight | 395.503 |
| InChIKey | WDMNFNXKGSLIOB-GUBZILKMSA-N |
| InChI | InChI=1S/C14H25N3O6S2/c1-24-5-3-9(16-12(20)8(15)7-11(18)19)13(21)17-10(14(22)23)4-6-25-2/h8-10H,3-7,15H2,1-2H3,(H,16,20)(H,17,21)(H,18,19)(H,22,23)/t8-,9-,10-/m0/s1 |
| SMILES | CSCC[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C14H25N3O6S2/c1-24-5-3-9(16-12(20)8(15)7-11(18)19)13(21)17-10(14(22)23)4-6-25-2/h8-10H,3-7,15H2,1-2H3,(H,16,20)(H,17,21)(H,18,19)(H,22,23)/t8-,9-,10-/m0/s1 |
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| SMILES (mnx) | [CH3:1][S:24][CH2:5][CH2:3][C@@H:9]([C:13](=[N:17][C@@H:10]([CH2:4][CH2:6][S:25][CH3:2])[C:14](=[O:22])[OH:23])[OH:21])[N:16]=[C:12]([C@H:8]([CH2:7][C:11](=[O:18])[OH:19])[NH2:15])[OH:20] |
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