| Properties | Image |
| MNX_ID | MNXM1124583 |
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| reference | chebi:161988 |
| formula | C17H25N3O4S |
| global charge | 0 |
| mol weight | 367.471 |
| InChIKey | DXWNFNOPBYAFRM-IHRRRGAJSA-N |
| InChI | InChI=1S/C17H25N3O4S/c1-10(2)14(16(22)19-13(9-25)17(23)24)20-15(21)12(18)8-11-6-4-3-5-7-11/h3-7,10,12-14,25H,8-9,18H2,1-2H3,(H,19,22)(H,20,21)(H,23,24)/t12-,13-,14-/m0/s1 |
| SMILES | CC(C)[C@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)N[C@@H](CS)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C17H25N3O4S/c1-10(2)14(16(22)19-13(9-25)17(23)24)20-15(21)12(18)8-11-6-4-3-5-7-11/h3-7,10,12-14,25H,8-9,18H2,1-2H3,(H,19,22)(H,20,21)(H,23,24)/t12-,13-,14-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:10]([CH3:2])[C@@H:14]([C:16](=[N:19][C@@H:13]([CH2:9][SH:25])[C:17](=[O:23])[OH:24])[OH:22])[N:20]=[C:15]([C@H:12]([CH2:8][C:11]1=[CH:6][CH:4]=[CH:3][CH:5]=[CH:7]1)[NH2:18])[OH:21] |
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