| Properties | Image |
| MNX_ID | MNXM1124006 |
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| reference | chebi:161408 |
| formula | C14H19N3O4S |
| global charge | 0 |
| mol weight | 325.39 |
| InChIKey | ALHULIGNEXGFRM-QWRGUYRKSA-N |
| InChI | InChI=1S/C14H19N3O4S/c15-10(6-9-4-2-1-3-5-9)13(20)17-11(8-22)14(21)16-7-12(18)19/h1-5,10-11,22H,6-8,15H2,(H,16,21)(H,17,20)(H,18,19)/t10-,11-/m0/s1 |
| SMILES | N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CS)C(=O)NCC(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C14H19N3O4S/c15-10(6-9-4-2-1-3-5-9)13(20)17-11(8-22)14(21)16-7-12(18)19/h1-5,10-11,22H,6-8,15H2,(H,16,21)(H,17,20)(H,18,19)/t10-,11-/m0/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:9]([CH2:6][C@@H:10]([C:13](=[N:17][C@@H:11]([CH2:8][SH:22])[C:14](=[N:16][CH2:7][C:12](=[O:18])[OH:19])[OH:21])[OH:20])[NH2:15])[CH:5]=[CH:3]1 |
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