| Properties | Image |
|---|
| MNX_ID | MNXM1127511 |
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| reference | chebi:164938 |
| formula | C17H23N3O7 |
| global charge | 0 |
| mol weight | 381.385 |
| InChIKey | IELISNUVHBKYBX-XDTLVQLUSA-N |
| InChI | InChI=1S/C17H23N3O7/c1-9(15(24)20-13(17(26)27)6-7-14(22)23)19-16(25)12(18)8-10-2-4-11(21)5-3-10/h2-5,9,12-13,21H,6-8,18H2,1H3,(H,19,25)(H,20,24)(H,22,23)(H,26,27)/t9-,12-,13-/m0/s1 |
| SMILES | C[C@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)N[C@@H](CCC(=O)O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C17H23N3O7/c1-9(15(24)20-13(17(26)27)6-7-14(22)23)19-16(25)12(18)8-10-2-4-11(21)5-3-10/h2-5,9,12-13,21H,6-8,18H2,1H3,(H,19,25)(H,20,24)(H,22,23)(H,26,27)/t9-,12-,13-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:9]([C:15](=[N:20][C@@H:13]([CH2:6][CH2:7][C:14](=[O:22])[OH:23])[C:17](=[O:26])[OH:27])[OH:24])[N:19]=[C:16]([C@H:12]([CH2:8][C:10]1=[CH:3][CH:5]=[C:11]([OH:21])[CH:4]=[CH:2]1)[NH2:18])[OH:25] |
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