| Properties | Image |
| MNX_ID | MNXM1121000 |
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| reference | chebi:158387 |
| formula | C13H25N3O4S2 |
| global charge | 0 |
| mol weight | 351.494 |
| InChIKey | VEAPAYQQLSEKEM-GUBZILKMSA-N |
| InChI | InChI=1S/C13H25N3O4S2/c1-8(14)11(17)15-9(4-6-21-2)12(18)16-10(13(19)20)5-7-22-3/h8-10H,4-7,14H2,1-3H3,(H,15,17)(H,16,18)(H,19,20)/t8-,9-,10-/m0/s1 |
| SMILES | CSCC[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](C)N)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C13H25N3O4S2/c1-8(14)11(17)15-9(4-6-21-2)12(18)16-10(13(19)20)5-7-22-3/h8-10H,4-7,14H2,1-3H3,(H,15,17)(H,16,18)(H,19,20)/t8-,9-,10-/m0/s1 |
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| SMILES (mnx) | [CH3:1][C@@H:8]([C:11](=[N:15][C@@H:9]([CH2:4][CH2:6][S:21][CH3:2])[C:12](=[N:16][C@@H:10]([CH2:5][CH2:7][S:22][CH3:3])[C:13](=[O:19])[OH:20])[OH:18])[OH:17])[NH2:14] |
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