| Properties | Image |
| MNX_ID | MNXM1121301 |
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| reference | chebi:158689 |
| formula | C12H24N6O4S |
| global charge | 0 |
| mol weight | 348.429 |
| InChIKey | HULHGJZIZXCPLD-FXQIFTODSA-N |
| InChI | InChI=1S/C12H24N6O4S/c1-6(9(19)18-8(5-23)11(21)22)17-10(20)7(13)3-2-4-16-12(14)15/h6-8,23H,2-5,13H2,1H3,(H,17,20)(H,18,19)(H,21,22)(H4,14,15,16)/t6-,7-,8-/m0/s1 |
| SMILES | C[C@H](NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CS)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C12H24N6O4S/c1-6(9(19)18-8(5-23)11(21)22)17-10(20)7(13)3-2-4-16-12(14)15/h6-8,23H,2-5,13H2,1H3,(H,17,20)(H,18,19)(H,21,22)(H4,14,15,16)/t6-,7-,8-/m0/s1 |
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| SMILES (mnx) | [CH3:1][C@@H:6]([C:9](=[N:18][C@@H:8]([CH2:5][SH:23])[C:11](=[O:21])[OH:22])[OH:19])[N:17]=[C:10]([C@H:7]([CH2:3][CH2:2][CH2:4][NH:16][C:12](=[NH:14])[NH2:15])[NH2:13])[OH:20] |
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