| Properties | Image |
| MNX_ID | MNXM1125214 |
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| reference | chebi:162625 |
| formula | C11H19N3O5S |
| global charge | 0 |
| mol weight | 305.356 |
| InChIKey | CZCCVJUUWBMISW-FXQIFTODSA-N |
| InChI | InChI=1S/C11H19N3O5S/c15-4-7(10(17)14-8(5-20)11(18)19)13-9(16)6-2-1-3-12-6/h6-8,12,15,20H,1-5H2,(H,13,16)(H,14,17)(H,18,19)/t6-,7-,8-/m0/s1 |
| SMILES | O=C(O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1 |
MNX internals
| InChI (mnx) | InChI=1/C11H19N3O5S/c15-4-7(10(17)14-8(5-20)11(18)19)13-9(16)6-2-1-3-12-6/h6-8,12,15,20H,1-5H2,(H,13,16)(H,14,17)(H,18,19)/t6-,7-,8-/m0/s1 |
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| SMILES (mnx) | [CH2:1]1[CH2:2][C@@H:6]([C:9](=[N:13][C@@H:7]([CH2:4][OH:15])[C:10](=[N:14][C@@H:8]([CH2:5][SH:20])[C:11](=[O:18])[OH:19])[OH:17])[OH:16])[NH:12][CH2:3]1 |
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