| Properties | Image |
| MNX_ID | MNXM1125575 |
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| reference | chebi:162987 |
| formula | C11H20N4O6S |
| global charge | 0 |
| mol weight | 336.37 |
| InChIKey | TUYBIWUZWJUZDD-ACZMJKKPSA-N |
| InChI | InChI=1S/C11H20N4O6S/c12-5(3-16)9(18)15-7(4-22)10(19)14-6(11(20)21)1-2-8(13)17/h5-7,16,22H,1-4,12H2,(H2,13,17)(H,14,19)(H,15,18)(H,20,21)/t5-,6-,7-/m0/s1 |
| SMILES | NC(=O)CC[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H](N)CO)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C11H20N4O6S/c12-5(3-16)9(18)15-7(4-22)10(19)14-6(11(20)21)1-2-8(13)17/h5-7,16,22H,1-4,12H2,(H2,13,17)(H,14,19)(H,15,18)(H,20,21)/t5-,6-,7-/m0/s1 |
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| SMILES (mnx) | [CH2:1]([CH2:2][C:8](=[NH:13])[OH:17])[C@@H:6]([C:11](=[O:20])[OH:21])[N:14]=[C:10]([C@H:7]([CH2:4][SH:22])[N:15]=[C:9]([C@H:5]([CH2:3][OH:16])[NH2:12])[OH:18])[OH:19] |
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