| Properties | Image |
| MNX_ID | MNXM1123718 |
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| reference | chebi:161120 |
| formula | C11H22N6O4S |
| global charge | 0 |
| mol weight | 334.402 |
| InChIKey | CEZSLNCYQUFOSL-BQBZGAKWSA-N |
| InChI | InChI=1S/C11H22N6O4S/c12-6(5-22)9(20)17-7(2-1-3-15-11(13)14)10(21)16-4-8(18)19/h6-7,22H,1-5,12H2,(H,16,21)(H,17,20)(H,18,19)(H4,13,14,15)/t6-,7-/m0/s1 |
| SMILES | NC(N)=NCCC[C@H](NC(=O)[C@@H](N)CS)C(=O)NCC(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C11H22N6O4S/c12-6(5-22)9(20)17-7(2-1-3-15-11(13)14)10(21)16-4-8(18)19/h6-7,22H,1-5,12H2,(H,16,21)(H,17,20)(H,18,19)(H4,13,14,15)/t6-,7-/m0/s1 |
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| SMILES (mnx) | [CH2:1]([CH2:2][C@@H:7]([C:10](=[N:16][CH2:4][C:8](=[O:18])[OH:19])[OH:21])[N:17]=[C:9]([C@H:6]([CH2:5][SH:22])[NH2:12])[OH:20])[CH2:3][NH:15][C:11](=[NH:13])[NH2:14] |
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