| Properties | Image |
|---|
| MNX_ID | MNXM1133027 |
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| reference | sabiorkM:31515 |
| formula | C18H25N3O7 |
| global charge | 0 |
| mol weight | 395.412 |
| InChIKey | WGJWYBIHRGNNCX-JCKWVBRZSA-N |
| InChI | InChI=1S/C18H25N3O7/c1-9(2)18(19,17(28)21-15(25)16(26)27)14(24)13(20-10(3)22)8-11-4-6-12(23)7-5-11/h4-7,9,13,15,23,25H,8,19H2,1-3H3,(H,20,22)(H,21,28)(H,26,27)/t13-,15+,18+/m0/s1 |
| SMILES | CC(O)=N[C@@H](CC1=CC=C(O)C=C1)C(=O)[C@@](N)(C(O)=N[C@H](O)C(=O)O)C(C)C |
MNX internals
| InChI (mnx) | InChI=1/C18H25N3O7/c1-9(2)18(19,17(28)21-15(25)16(26)27)14(24)13(20-10(3)22)8-11-4-6-12(23)7-5-11/h4-7,9,13,15,23,25H,8,19H2,1-3H3,(H,20,22)(H,21,28)(H,26,27)/t13-,15+,18+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:9]([CH3:2])[C@@:18]([C:14]([C@H:13]([CH2:8][C:11]1=[CH:5][CH:7]=[C:12]([OH:23])[CH:6]=[CH:4]1)[N:20]=[C:10]([CH3:3])[OH:22])=[O:24])([C:17](=[N:21][C@@H:15]([C:16](=[O:26])[OH:27])[OH:25])[OH:28])[NH2:19] |
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