| Properties | Image |
| MNX_ID | MNXM1122275 |
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| reference | chebi:159667 |
| formula | C11H20N4O6S |
| global charge | 0 |
| mol weight | 336.37 |
| InChIKey | QRHYAUYXBVVDSB-LKXGYXEUSA-N |
| InChI | InChI=1S/C11H20N4O6S/c1-4(16)8(11(20)21)15-10(19)6(3-22)14-9(18)5(12)2-7(13)17/h4-6,8,16,22H,2-3,12H2,1H3,(H2,13,17)(H,14,18)(H,15,19)(H,20,21)/t4-,5+,6+,8+/m1/s1 |
| SMILES | C[C@@H](O)[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H](N)CC(N)=O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C11H20N4O6S/c1-4(16)8(11(20)21)15-10(19)6(3-22)14-9(18)5(12)2-7(13)17/h4-6,8,16,22H,2-3,12H2,1H3,(H2,13,17)(H,14,18)(H,15,19)(H,20,21)/t4-,5+,6+,8+/m1/s1 |
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| SMILES (mnx) | [CH3:1][C@H:4]([C@@H:8]([C:11](=[O:20])[OH:21])[N:15]=[C:10]([C@H:6]([CH2:3][SH:22])[N:14]=[C:9]([C@H:5]([CH2:2][C:7](=[NH:13])[OH:17])[NH2:12])[OH:18])[OH:19])[OH:16] |
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