| Properties | Image |
|---|
| MNX_ID | MNXM1124102 |
 |
| reference | chebi:161504 |
| formula | C17H23N3O7 |
| global charge | 0 |
| mol weight | 381.385 |
| InChIKey | JWQWPTLEOFNCGX-AVGNSLFASA-N |
| InChI | InChI=1S/C17H23N3O7/c18-11(8-10-4-2-1-3-5-10)15(24)19-12(6-7-14(22)23)16(25)20-13(9-21)17(26)27/h1-5,11-13,21H,6-9,18H2,(H,19,24)(H,20,25)(H,22,23)(H,26,27)/t11-,12-,13-/m0/s1 |
| SMILES | N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C17H23N3O7/c18-11(8-10-4-2-1-3-5-10)15(24)19-12(6-7-14(22)23)16(25)20-13(9-21)17(26)27/h1-5,11-13,21H,6-9,18H2,(H,19,24)(H,20,25)(H,22,23)(H,26,27)/t11-,12-,13-/m0/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:10]([CH2:8][C@@H:11]([C:15](=[N:19][C@@H:12]([CH2:6][CH2:7][C:14](=[O:22])[OH:23])[C:16](=[N:20][C@@H:13]([CH2:9][OH:21])[C:17](=[O:26])[OH:27])[OH:25])[OH:24])[NH2:18])[CH:5]=[CH:3]1 |
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