| Properties | Image |
|---|
| MNX_ID | MNXM1120693 |
 |
| reference | chebi:158074 |
| formula | C20H25N5O5 |
| global charge | 0 |
| mol weight | 415.45 |
| InChIKey | ISQOVWDWRUONJH-YESZJQIVSA-N |
| InChI | InChI=1S/C20H25N5O5/c21-15(9-13-10-22-11-23-13)18(27)24-16(8-12-3-5-14(26)6-4-12)19(28)25-7-1-2-17(25)20(29)30/h3-6,10-11,15-17,26H,1-2,7-9,21H2,(H,22,23)(H,24,27)(H,29,30)/t15-,16-,17+/m0/s1 |
| SMILES | N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@@H]1C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C20H25N5O5/c21-15(9-13-10-22-11-23-13)18(27)24-16(8-12-3-5-14(26)6-4-12)19(28)25-7-1-2-17(25)20(29)30/h3-6,10-11,15-17,26H,1-2,7-9,21H2,(H,22,23)(H,24,27)(H,29,30)/t15-,16-,17+/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]1[CH2:2][C@H:17]([C:20](=[O:29])[OH:30])[N:25]([C:19]([C@H:16]([CH2:8][C:12]2=[CH:4][CH:6]=[C:14]([OH:26])[CH:5]=[CH:3]2)[N:24]=[C:18]([C@H:15]([CH2:9][C:13]2=[CH:10][N:22]=[CH:11][NH:23]2)[NH2:21])[OH:27])=[O:28])[CH2:7]1 |
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