| Properties | Image |
| MNX_ID | MNXM1123828 |
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| reference | chebi:161230 |
| formula | C10H17N3O6S2 |
| global charge | 0 |
| mol weight | 339.395 |
| InChIKey | GGIHYKLJUIZYGH-ZLUOBGJFSA-N |
| InChI | InChI=1S/C10H17N3O6S2/c11-4(2-20)8(16)13-6(3-21)9(17)12-5(10(18)19)1-7(14)15/h4-6,20-21H,1-3,11H2,(H,12,17)(H,13,16)(H,14,15)(H,18,19)/t4-,5-,6-/m0/s1 |
| SMILES | N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C10H17N3O6S2/c11-4(2-20)8(16)13-6(3-21)9(17)12-5(10(18)19)1-7(14)15/h4-6,20-21H,1-3,11H2,(H,12,17)(H,13,16)(H,14,15)(H,18,19)/t4-,5-,6-/m0/s1 |
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| SMILES (mnx) | [CH2:1]([C@@H:5]([C:10](=[O:18])[OH:19])[N:12]=[C:9]([C@H:6]([CH2:3][SH:21])[N:13]=[C:8]([C@H:4]([CH2:2][SH:20])[NH2:11])[OH:16])[OH:17])[C:7](=[O:14])[OH:15] |
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