| Properties | Image |
| MNX_ID | MNXM1123826 |
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| reference | chebi:161228 |
| formula | C10H18N4O5S2 |
| global charge | 0 |
| mol weight | 338.411 |
| InChIKey | DVKQPQKQDHHFTE-ZLUOBGJFSA-N |
| InChI | InChI=1S/C10H18N4O5S2/c11-4(2-20)8(16)14-6(3-21)9(17)13-5(10(18)19)1-7(12)15/h4-6,20-21H,1-3,11H2,(H2,12,15)(H,13,17)(H,14,16)(H,18,19)/t4-,5-,6-/m0/s1 |
| SMILES | NC(=O)C[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H](N)CS)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C10H18N4O5S2/c11-4(2-20)8(16)14-6(3-21)9(17)13-5(10(18)19)1-7(12)15/h4-6,20-21H,1-3,11H2,(H2,12,15)(H,13,17)(H,14,16)(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:13]=[C:9]([C@H:6]([CH2:3][SH:21])[N:14]=[C:8]([C@H:4]([CH2:2][SH:20])[NH2:11])[OH:16])[OH:17])[C:7](=[NH:12])[OH:15] |
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