| Properties | Image |
|---|
| MNX_ID | MNXM1122790 |
 |
| reference | chebi:160185 |
| formula | C20H25N5O5 |
| global charge | 0 |
| mol weight | 415.45 |
| InChIKey | ANRZCQXIXGDXLR-CWRNSKLLSA-N |
| InChI | InChI=1S/C20H25N5O5/c21-13(9-17(22)26)18(27)24-15(19(28)25-7-3-6-16(25)20(29)30)8-11-10-23-14-5-2-1-4-12(11)14/h1-2,4-5,10,13,15-16,23H,3,6-9,21H2,(H2,22,26)(H,24,27)(H,29,30)/t13-,15-,16+/m0/s1 |
| SMILES | NC(=O)C[C@H](N)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N1CCC[C@@H]1C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C20H25N5O5/c21-13(9-17(22)26)18(27)24-15(19(28)25-7-3-6-16(25)20(29)30)8-11-10-23-14-5-2-1-4-12(11)14/h1-2,4-5,10,13,15-16,23H,3,6-9,21H2,(H2,22,26)(H,24,27)(H,29,30)/t13-,15-,16+/m0/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][CH:5]=[C:14]2[C:12](=[CH:4]1)[C:11]([CH2:8][C@@H:15]([C:19]([N:25]1[CH2:7][CH2:3][CH2:6][C@@H:16]1[C:20](=[O:29])[OH:30])=[O:28])[N:24]=[C:18]([C@H:13]([CH2:9][C:17](=[NH:22])[OH:26])[NH2:21])[OH:27])=[CH:10][NH:23]2 |
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