| Properties | Image |
| MNX_ID | MNXM1122069 |
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| reference | chebi:159458 |
| formula | C16H32N6O4S |
| global charge | 0 |
| mol weight | 404.537 |
| InChIKey | WTUZDHWWGUQEKN-SRVKXCTJSA-N |
| InChI | InChI=1S/C16H32N6O4S/c1-9(2)12(14(24)21-11(15(25)26)6-8-27-3)22-13(23)10(17)5-4-7-20-16(18)19/h9-12H,4-8,17H2,1-3H3,(H,21,24)(H,22,23)(H,25,26)(H4,18,19,20)/t10-,11-,12-/m0/s1 |
| SMILES | CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCN=C(N)N)C(C)C)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C16H32N6O4S/c1-9(2)12(14(24)21-11(15(25)26)6-8-27-3)22-13(23)10(17)5-4-7-20-16(18)19/h9-12H,4-8,17H2,1-3H3,(H,21,24)(H,22,23)(H,25,26)(H4,18,19,20)/t10-,11-,12-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:9]([CH3:2])[C@@H:12]([C:14](=[N:21][C@@H:11]([CH2:6][CH2:8][S:27][CH3:3])[C:15](=[O:25])[OH:26])[OH:24])[N:22]=[C:13]([C@H:10]([CH2:5][CH2:4][CH2:7][NH:20][C:16](=[NH:18])[NH2:19])[NH2:17])[OH:23] |
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