| Properties | Image |
| MNX_ID | MNXM1122438 |
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| reference | chebi:159831 |
| formula | C12H24N4O4S2 |
| global charge | 0 |
| mol weight | 352.482 |
| InChIKey | CFVQPNSCQMKDPB-CIUDSAMLSA-N |
| InChI | InChI=1S/C12H24N4O4S2/c13-4-2-1-3-7(14)10(17)15-8(5-21)11(18)16-9(6-22)12(19)20/h7-9,21-22H,1-6,13-14H2,(H,15,17)(H,16,18)(H,19,20)/t7-,8-,9-/m0/s1 |
| SMILES | NCCCC[C@H](N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C12H24N4O4S2/c13-4-2-1-3-7(14)10(17)15-8(5-21)11(18)16-9(6-22)12(19)20/h7-9,21-22H,1-6,13-14H2,(H,15,17)(H,16,18)(H,19,20)/t7-,8-,9-/m0/s1 |
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| SMILES (mnx) | [CH2:1]([CH2:2][CH2:4][NH2:13])[CH2:3][C@@H:7]([C:10](=[N:15][C@@H:8]([CH2:5][SH:21])[C:11](=[N:16][C@@H:9]([CH2:6][SH:22])[C:12](=[O:19])[OH:20])[OH:18])[OH:17])[NH2:14] |
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