| Properties | Image |
| MNX_ID | MNXM1121793 |
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| reference | chebi:159182 |
| formula | C16H32N6O4S2 |
| global charge | 0 |
| mol weight | 436.604 |
| InChIKey | ZRNWJUAQKFUUKV-SRVKXCTJSA-N |
| InChI | InChI=1S/C16H32N6O4S2/c1-27-8-5-11(14(24)22-12(15(25)26)6-9-28-2)21-13(23)10(17)4-3-7-20-16(18)19/h10-12H,3-9,17H2,1-2H3,(H,21,23)(H,22,24)(H,25,26)(H4,18,19,20)/t10-,11-,12-/m0/s1 |
| SMILES | CSCC[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C16H32N6O4S2/c1-27-8-5-11(14(24)22-12(15(25)26)6-9-28-2)21-13(23)10(17)4-3-7-20-16(18)19/h10-12H,3-9,17H2,1-2H3,(H,21,23)(H,22,24)(H,25,26)(H4,18,19,20)/t10-,11-,12-/m0/s1 |
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| SMILES (mnx) | [CH3:1][S:27][CH2:8][CH2:5][C@@H:11]([C:14](=[N:22][C@@H:12]([CH2:6][CH2:9][S:28][CH3:2])[C:15](=[O:25])[OH:26])[OH:24])[N:21]=[C:13]([C@H:10]([CH2:4][CH2:3][CH2:7][NH:20][C:16](=[NH:18])[NH2:19])[NH2:17])[OH:23] |
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