| Properties | Image |
| MNX_ID | MNXM1124243 |
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| reference | chebi:161645 |
| formula | C17H23N3O4S |
| global charge | 0 |
| mol weight | 365.455 |
| InChIKey | CNAMJJOZGXPDHW-IHRRRGAJSA-N |
| InChI | InChI=1S/C17H23N3O4S/c18-12(10-25)16(22)20-8-4-7-14(20)15(21)19-13(17(23)24)9-11-5-2-1-3-6-11/h1-3,5-6,12-14,25H,4,7-10,18H2,(H,19,21)(H,23,24)/t12-,13-,14-/m0/s1 |
| SMILES | N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C17H23N3O4S/c18-12(10-25)16(22)20-8-4-7-14(20)15(21)19-13(17(23)24)9-11-5-2-1-3-6-11/h1-3,5-6,12-14,25H,4,7-10,18H2,(H,19,21)(H,23,24)/t12-,13-,14-/m0/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:2][CH:5]=[C:11]([CH2:9][C@@H:13]([C:17](=[O:23])[OH:24])[N:19]=[C:15]([C@@H:14]2[CH2:7][CH2:4][CH2:8][N:20]2[C:16]([C@H:12]([CH2:10][SH:25])[NH2:18])=[O:22])[OH:21])[CH:6]=[CH:3]1 |
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