| Properties | Image |
| MNX_ID | MNXM1126513 |
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| reference | chebi:163928 |
| formula | C17H25N3O4 |
| global charge | 0 |
| mol weight | 335.404 |
| InChIKey | IBYOLNARKHMLBG-WHOFXGATSA-N |
| InChI | InChI=1S/C17H25N3O4/c1-3-11(2)15(17(23)24)20-16(22)13(19-14(21)10-18)9-12-7-5-4-6-8-12/h4-8,11,13,15H,3,9-10,18H2,1-2H3,(H,19,21)(H,20,22)(H,23,24)/t11-,13-,15-/m0/s1 |
| SMILES | CC[C@H](C)[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CN)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C17H25N3O4/c1-3-11(2)15(17(23)24)20-16(22)13(19-14(21)10-18)9-12-7-5-4-6-8-12/h4-8,11,13,15H,3,9-10,18H2,1-2H3,(H,19,21)(H,20,22)(H,23,24)/t11-,13-,15-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][C@H:11]([CH3:2])[C@@H:15]([C:17](=[O:23])[OH:24])[N:20]=[C:16]([C@H:13]([CH2:9][C:12]1=[CH:7][CH:5]=[CH:4][CH:6]=[CH:8]1)[N:19]=[C:14]([CH2:10][NH2:18])[OH:21])[OH:22] |
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