| Properties | Image |
|---|
| MNX_ID | MNXM1125490 |
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| reference | chebi:162902 |
| formula | C19H25N3O9 |
| global charge | 0 |
| mol weight | 439.421 |
| InChIKey | BUAKRRKDHSSIKK-IHRRRGAJSA-N |
| InChI | InChI=1S/C19H25N3O9/c20-12(5-7-15(24)25)17(28)21-13(6-8-16(26)27)18(29)22-14(19(30)31)9-10-1-3-11(23)4-2-10/h1-4,12-14,23H,5-9,20H2,(H,21,28)(H,22,29)(H,24,25)(H,26,27)(H,30,31)/t12-,13-,14-/m0/s1 |
| SMILES | N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C19H25N3O9/c20-12(5-7-15(24)25)17(28)21-13(6-8-16(26)27)18(29)22-14(19(30)31)9-10-1-3-11(23)4-2-10/h1-4,12-14,23H,5-9,20H2,(H,21,28)(H,22,29)(H,24,25)(H,26,27)(H,30,31)/t12-,13-,14-/m0/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:3][C:11]([OH:23])=[CH:4][CH:2]=[C:10]1[CH2:9][C@@H:14]([C:19](=[O:30])[OH:31])[N:22]=[C:18]([C@H:13]([CH2:6][CH2:8][C:16](=[O:26])[OH:27])[N:21]=[C:17]([C@H:12]([CH2:5][CH2:7][C:15](=[O:24])[OH:25])[NH2:20])[OH:28])[OH:29] |
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