| Properties | Image |
MNX_ID | MNXM1113205 |
 |
reference | chebi:147425 |
formula | C10H17N3O9S2 |
global charge | 0 |
mol weight | 387.392 |
InChIKey | HBEFTXHFDQJRJD-WDSKDSINSA-N |
InChI | InChI=1S/C10H17N3O9S2/c11-5(10(18)19)1-2-7(14)13(3-8(15)16)9(17)6(12)4-23-24(20,21)22/h5-6H,1-4,11-12H2,(H,15,16)(H,18,19)(H,20,21,22)/t5-,6-/m0/s1 |
SMILES | N[C@@H](CCC(=O)N(CC(=O)O)C(=O)[C@@H](N)CSS(=O)(=O)O)C(=O)O |
MNX internals
InChI (mnx) | InChI=1/C10H17N3O9S2/c11-5(10(18)19)1-2-7(14)13(3-8(15)16)9(17)6(12)4-23-24(20,21)22/h5-6H,1-4,11-12H2,(H,15,16)(H,18,19)(H,20,21,22)/t5-,6-/m0/s1 |
 |
SMILES (mnx) | [CH2:1]([CH2:2][C:7]([N:13]([CH2:3][C:8](=[O:15])[OH:16])[C:9]([C@H:6]([CH2:4][S:23][S:24]([OH:20])(=[O:21])=[O:22])[NH2:12])=[O:17])=[O:14])[C@@H:5]([C:10](=[O:18])[OH:19])[NH2:11] |
|