| Properties | Image |
|---|
| MNX_ID | MNXM1127912 |
 |
| reference | chebi:165949 |
| formula | C19H25N3O5 |
| global charge | 0 |
| mol weight | 375.425 |
| InChIKey | VXFXIBCCVLJCJT-JYJNAYRXSA-N |
| InChI | InChI=1S/C19H25N3O5/c20-14(11-12-5-7-13(23)8-6-12)17(24)21-9-1-3-15(21)18(25)22-10-2-4-16(22)19(26)27/h5-8,14-16,23H,1-4,9-11,20H2,(H,26,27)/t14-,15-,16-/m0/s1 |
| SMILES | N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C19H25N3O5/c20-14(11-12-5-7-13(23)8-6-12)17(24)21-9-1-3-15(21)18(25)22-10-2-4-16(22)19(26)27/h5-8,14-16,23H,1-4,9-11,20H2,(H,26,27)/t14-,15-,16-/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]1[CH2:3][C@@H:15]([C:18]([N:22]2[CH2:10][CH2:2][CH2:4][C@H:16]2[C:19](=[O:26])[OH:27])=[O:25])[N:21]([C:17]([C@H:14]([CH2:11][C:12]2=[CH:6][CH:8]=[C:13]([OH:23])[CH:7]=[CH:5]2)[NH2:20])=[O:24])[CH2:9]1 |
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