| Properties | Image |
|---|
| MNX_ID | MNXM168198 |
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| reference | sabiorkM:25470 |
| formula | C13H21N3O8S |
| global charge | 0 |
| mol weight | 379.391 |
| InChIKey | UQIHHGNTYLFRNX-ALKRTJFJSA-N |
| InChI | InChI=1S/C13H21N3O8S/c1-6(17)11(21)16-7(13(23)24)2-3-9(18)15-8(5-25)12(22)14-4-10(19)20/h6-8,17,25H,2-5H2,1H3,(H,14,22)(H,15,18)(H,16,21)(H,19,20)(H,23,24)/t6?,7-,8-/m0/s1 |
| SMILES | CC(O)C(O)=N[C@@H](CCC(O)=N[C@@H](CS)C(O)=NCC(=O)O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C13H21N3O8S/c1-6(17)11(21)16-7(13(23)24)2-3-9(18)15-8(5-25)12(22)14-4-10(19)20/h6-8,17,25H,2-5H2,1H3,(H,14,22)(H,15,18)(H,16,21)(H,19,20)(H,23,24)/t6?,7-,8-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:6]([C:11](=[N:16][C@@H:7]([CH2:2][CH2:3][C:9](=[N:15][C@@H:8]([CH2:5][SH:25])[C:12](=[N:14][CH2:4][C:10](=[O:19])[OH:20])[OH:22])[OH:18])[C:13](=[O:23])[OH:24])[OH:21])[OH:17] |
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