| Properties | Image |
| MNX_ID | MNXM1124022 |
 |
| reference | chebi:161424 |
| formula | C15H21N3O5S |
| global charge | 0 |
| mol weight | 355.416 |
| InChIKey | WFDAEEUZPZSMOG-SRVKXCTJSA-N |
| InChI | InChI=1S/C15H21N3O5S/c16-10(6-9-4-2-1-3-5-9)13(20)18-12(8-24)14(21)17-11(7-19)15(22)23/h1-5,10-12,19,24H,6-8,16H2,(H,17,21)(H,18,20)(H,22,23)/t10-,11-,12-/m0/s1 |
| SMILES | N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C15H21N3O5S/c16-10(6-9-4-2-1-3-5-9)13(20)18-12(8-24)14(21)17-11(7-19)15(22)23/h1-5,10-12,19,24H,6-8,16H2,(H,17,21)(H,18,20)(H,22,23)/t10-,11-,12-/m0/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:9]([CH2:6][C@@H:10]([C:13](=[N:18][C@@H:12]([CH2:8][SH:24])[C:14](=[N:17][C@@H:11]([CH2:7][OH:19])[C:15](=[O:22])[OH:23])[OH:21])[OH:20])[NH2:16])[CH:5]=[CH:3]1 |
|