| Properties | Image |
| MNX_ID | MNXM1124394 |
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| reference | chebi:161798 |
| formula | C17H23N3O4S |
| global charge | 0 |
| mol weight | 365.455 |
| InChIKey | YVXPUUOTMVBKDO-IHRRRGAJSA-N |
| InChI | InChI=1S/C17H23N3O4S/c18-12(9-11-5-2-1-3-6-11)16(22)20-8-4-7-14(20)15(21)19-13(10-25)17(23)24/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](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C17H23N3O4S/c18-12(9-11-5-2-1-3-6-11)16(22)20-8-4-7-14(20)15(21)19-13(10-25)17(23)24/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:12]([C:16]([N:20]2[CH2:8][CH2:4][CH2:7][C@H:14]2[C:15](=[N:19][C@@H:13]([CH2:10][SH:25])[C:17](=[O:23])[OH:24])[OH:21])=[O:22])[NH2:18])[CH:6]=[CH:3]1 |
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