| Properties | Image |
| MNX_ID | MNXM1124282 |
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| reference | chebi:161686 |
| formula | C15H21N3O5S |
| global charge | 0 |
| mol weight | 355.416 |
| InChIKey | HJXSYJVCMUOUNY-SRVKXCTJSA-N |
| InChI | InChI=1S/C15H21N3O5S/c16-10(8-24)13(20)18-12(7-19)14(21)17-11(15(22)23)6-9-4-2-1-3-5-9/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](CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C15H21N3O5S/c16-10(8-24)13(20)18-12(7-19)14(21)17-11(15(22)23)6-9-4-2-1-3-5-9/h1-5,10-12,19,24H,6-8,16H2,(H,17,21)(H,18,20)(H,22,23)/t10-,11-,12-/m0/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:9]([CH2:6][C@@H:11]([C:15](=[O:22])[OH:23])[N:17]=[C:14]([C@H:12]([CH2:7][OH:19])[N:18]=[C:13]([C@H:10]([CH2:8][SH:24])[NH2:16])[OH:20])[OH:21])[CH:5]=[CH:3]1 |
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