| Properties | Image |
|---|
| MNX_ID | MNXM1122577 |
 |
| reference | chebi:159971 |
| formula | C15H24N6O5S |
| global charge | 0 |
| mol weight | 400.461 |
| InChIKey | VOKWBBBXJONREA-DCAQKATOSA-N |
| InChI | InChI=1S/C15H24N6O5S/c1-27-3-2-10(20-13(23)9(16)5-12(17)22)14(24)21-11(15(25)26)4-8-6-18-7-19-8/h6-7,9-11H,2-5,16H2,1H3,(H2,17,22)(H,18,19)(H,20,23)(H,21,24)(H,25,26)/t9-,10-,11-/m0/s1 |
| SMILES | CSCC[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CC1=CN=CN1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C15H24N6O5S/c1-27-3-2-10(20-13(23)9(16)5-12(17)22)14(24)21-11(15(25)26)4-8-6-18-7-19-8/h6-7,9-11H,2-5,16H2,1H3,(H2,17,22)(H,18,19)(H,20,23)(H,21,24)(H,25,26)/t9-,10-,11-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][S:27][CH2:3][CH2:2][C@@H:10]([C:14](=[N:21][C@@H:11]([CH2:4][C:8]1=[CH:6][N:18]=[CH:7][NH:19]1)[C:15](=[O:25])[OH:26])[OH:24])[N:20]=[C:13]([C@H:9]([CH2:5][C:12](=[NH:17])[OH:22])[NH2:16])[OH:23] |
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