| Properties | Image |
| MNX_ID | MNXM1125613 |
 |
| reference | chebi:163025 |
| formula | C11H20N4O6S |
| global charge | 0 |
| mol weight | 336.37 |
| InChIKey | MAWSJXHRLWVJEZ-ACZMJKKPSA-N |
| InChI | InChI=1S/C11H20N4O6S/c12-5(3-16)9(18)14-6(1-2-8(13)17)10(19)15-7(4-22)11(20)21/h5-7,16,22H,1-4,12H2,(H2,13,17)(H,14,18)(H,15,19)(H,20,21)/t5-,6-,7-/m0/s1 |
| SMILES | NC(=O)CC[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CS)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C11H20N4O6S/c12-5(3-16)9(18)14-6(1-2-8(13)17)10(19)15-7(4-22)11(20)21/h5-7,16,22H,1-4,12H2,(H2,13,17)(H,14,18)(H,15,19)(H,20,21)/t5-,6-,7-/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]([CH2:2][C:8](=[NH:13])[OH:17])[C@@H:6]([C:10](=[N:15][C@@H:7]([CH2:4][SH:22])[C:11](=[O:20])[OH:21])[OH:19])[N:14]=[C:9]([C@H:5]([CH2:3][OH:16])[NH2:12])[OH:18] |
|