| Properties | Image |
|---|
| MNX_ID | MNXM744913 |
 |
| reference | biggM:thrmetarg |
| formula | C15H31N6O5S |
| global charge | 1 |
| mol weight | 407.517 |
| InChIKey | OHDXOXIZXSFCDN-LMLFDSFASA-O |
| InChI | InChI=1S/C15H30N6O5S/c1-8(22)11(16)13(24)20-9(5-7-27-2)12(23)21-10(14(25)26)4-3-6-19-15(17)18/h8-11,22H,3-7,16H2,1-2H3,(H,20,24)(H,21,23)(H,25,26)(H4,17,18,19)/p+1/t8-,9+,10-,11-/m1/s1 |
| SMILES | CSCC[C@H](NC(=O)[C@H](N)[C@@H](C)O)C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C15H30N6O5S/c1-8(22)11(16)13(24)20-9(5-7-27-2)12(23)21-10(14(25)26)4-3-6-19-15(17)18/h8-11,22H,3-7,16H2,1-2H3,(H,20,24)(H,21,23)(H,25,26)(H4,17,18,19)/t8-,9+,10-,11-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:8]([C@H:11]([C:13](=[N:20][C@@H:9]([CH2:5][CH2:7][S:27][CH3:2])[C:12](=[N:21][C@H:10]([CH2:4][CH2:3][CH2:6][NH:19][C:15](=[NH:17])[NH2:18])[C:14](=[O:25])[OH:26])[OH:23])[OH:24])[NH2:16])[OH:22] |
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