| Properties | Image |
| MNX_ID | MNXM1123987 |
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| reference | chebi:161389 |
| formula | C12H19N5O4S2 |
| global charge | 0 |
| mol weight | 361.449 |
| InChIKey | XELISBQUZZAPQK-CIUDSAMLSA-N |
| InChI | InChI=1S/C12H19N5O4S2/c13-7(3-22)10(18)16-8(1-6-2-14-5-15-6)11(19)17-9(4-23)12(20)21/h2,5,7-9,22-23H,1,3-4,13H2,(H,14,15)(H,16,18)(H,17,19)(H,20,21)/t7-,8-,9-/m0/s1 |
| SMILES | N[C@@H](CS)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CS)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C12H19N5O4S2/c13-7(3-22)10(18)16-8(1-6-2-14-5-15-6)11(19)17-9(4-23)12(20)21/h2,5,7-9,22-23H,1,3-4,13H2,(H,14,15)(H,16,18)(H,17,19)(H,20,21)/t7-,8-,9-/m0/s1 |
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| SMILES (mnx) | [CH2:1]([C:6]1=[CH:2][N:14]=[CH:5][NH:15]1)[C@@H:8]([C:11](=[N:17][C@@H:9]([CH2:4][SH:23])[C:12](=[O:20])[OH:21])[OH:19])[N:16]=[C:10]([C@H:7]([CH2:3][SH:22])[NH2:13])[OH:18] |
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