| Properties | Image |
| MNX_ID | MNXM1123913 |
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| reference | chebi:161315 |
| formula | C10H17N3O6S |
| global charge | 0 |
| mol weight | 307.328 |
| InChIKey | UXUSHQYYQCZWET-WDSKDSINSA-N |
| InChI | InChI=1S/C10H17N3O6S/c11-5(4-20)9(18)13-6(1-2-7(14)15)10(19)12-3-8(16)17/h5-6,20H,1-4,11H2,(H,12,19)(H,13,18)(H,14,15)(H,16,17)/t5-,6-/m0/s1 |
| SMILES | N[C@@H](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C10H17N3O6S/c11-5(4-20)9(18)13-6(1-2-7(14)15)10(19)12-3-8(16)17/h5-6,20H,1-4,11H2,(H,12,19)(H,13,18)(H,14,15)(H,16,17)/t5-,6-/m0/s1 |
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| SMILES (mnx) | [CH2:1]([CH2:2][C:7](=[O:14])[OH:15])[C@@H:6]([C:10](=[N:12][CH2:3][C:8](=[O:16])[OH:17])[OH:19])[N:13]=[C:9]([C@H:5]([CH2:4][SH:20])[NH2:11])[OH:18] |
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