| Properties | Image |
|---|
| MNX_ID | MNXM744798 |
 |
| reference | biggM:metmetile |
| formula | C16H31N3O4S2 |
| global charge | 0 |
| mol weight | 393.575 |
| InChIKey | LLKWSEXLNFBKIF-QBHFIFKDSA-N |
| InChI | InChI=1S/C16H31N3O4S2/c1-5-10(2)13(16(22)23)19-15(21)12(7-9-25-4)18-14(20)11(17)6-8-24-3/h10-13H,5-9,17H2,1-4H3,(H,18,20)(H,19,21)(H,22,23)/t10?,11-,12+,13?/m1/s1 |
| SMILES | CCC(C)C(NC(=O)[C@H](CCSC)NC(=O)[C@H](N)CCSC)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C16H31N3O4S2/c1-5-10(2)13(16(22)23)19-15(21)12(7-9-25-4)18-14(20)11(17)6-8-24-3/h10-13H,5-9,17H2,1-4H3,(H,18,20)(H,19,21)(H,22,23)/t10?,11-,12+,13?/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH:10]([CH3:2])[CH:13]([C:16](=[O:22])[OH:23])[N:19]=[C:15]([C@H:12]([CH2:7][CH2:9][S:25][CH3:4])[N:18]=[C:14]([C@@H:11]([CH2:6][CH2:8][S:24][CH3:3])[NH2:17])[OH:20])[OH:21] |
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