| Properties | Image |
| MNX_ID | MNXM1123007 |
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| reference | chebi:160405 |
| formula | C11H17N3O8S |
| global charge | 0 |
| mol weight | 351.337 |
| InChIKey | AKPLMZMNJGNUKT-ZLUOBGJFSA-N |
| InChI | InChI=1S/C11H17N3O8S/c12-4(1-7(15)16)9(19)13-5(2-8(17)18)10(20)14-6(3-23)11(21)22/h4-6,23H,1-3,12H2,(H,13,19)(H,14,20)(H,15,16)(H,17,18)(H,21,22)/t4-,5-,6-/m0/s1 |
| SMILES | N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C11H17N3O8S/c12-4(1-7(15)16)9(19)13-5(2-8(17)18)10(20)14-6(3-23)11(21)22/h4-6,23H,1-3,12H2,(H,13,19)(H,14,20)(H,15,16)(H,17,18)(H,21,22)/t4-,5-,6-/m0/s1 |
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| SMILES (mnx) | [CH2:1]([C@@H:4]([C:9](=[N:13][C@@H:5]([CH2:2][C:8](=[O:17])[OH:18])[C:10](=[N:14][C@@H:6]([CH2:3][SH:23])[C:11](=[O:21])[OH:22])[OH:20])[OH:19])[NH2:12])[C:7](=[O:15])[OH:16] |
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