| Properties | Image |
|---|
| MNX_ID | MNXM744719 |
 |
| reference | biggM:glumethis |
| formula | C16H24N5O6S |
| global charge | -1 |
| mol weight | 414.464 |
| InChIKey | BHXSLRDWXIFKTP-IGBJHFKCSA-M |
| InChI | InChI=1S/C16H25N5O6S/c1-28-5-4-11(20-14(24)10(17)2-3-13(22)23)15(25)21-12(16(26)27)6-9-7-18-8-19-9/h7-8,10-12H,2-6,17H2,1H3,(H,18,19)(H,20,24)(H,21,25)(H,22,23)(H,26,27)/p-1/t10-,11?,12-/m1/s1 |
| SMILES | CSCCC(NC(=O)[C@H](N)CCC(=O)[O-])C(=O)N[C@H](CC1=CNC=N1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C16H25N5O6S/c1-28-5-4-11(20-14(24)10(17)2-3-13(22)23)15(25)21-12(16(26)27)6-9-7-18-8-19-9/h7-8,10-12H,2-6,17H2,1H3,(H,18,19)(H,20,24)(H,21,25)(H,22,23)(H,26,27)/t10-,11?,12-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][S:28][CH2:5][CH2:4][CH:11]([C:15](=[N:21][C@H:12]([CH2:6][C:9]1=[CH:7][N:18]=[CH:8][NH:19]1)[C:16](=[O:26])[OH:27])[OH:25])[N:20]=[C:14]([C@@H:10]([CH2:2][CH2:3][C:13](=[O:22])[OH:23])[NH2:17])[OH:24] |
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