| Properties | Image |
|---|
| MNX_ID | MNXM1124088 |
 |
| reference | chebi:161490 |
| formula | C20H25N5O6 |
| global charge | 0 |
| mol weight | 431.449 |
| InChIKey | AKJAKCBHLJGRBU-JYJNAYRXSA-N |
| InChI | InChI=1S/C20H25N5O6/c21-14(8-12-4-2-1-3-5-12)18(28)24-15(6-7-17(26)27)19(29)25-16(20(30)31)9-13-10-22-11-23-13/h1-5,10-11,14-16H,6-9,21H2,(H,22,23)(H,24,28)(H,25,29)(H,26,27)(H,30,31)/t14-,15-,16-/m0/s1 |
| SMILES | N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CN=CN1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C20H25N5O6/c21-14(8-12-4-2-1-3-5-12)18(28)24-15(6-7-17(26)27)19(29)25-16(20(30)31)9-13-10-22-11-23-13/h1-5,10-11,14-16H,6-9,21H2,(H,22,23)(H,24,28)(H,25,29)(H,26,27)(H,30,31)/t14-,15-,16-/m0/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:12]([CH2:8][C@@H:14]([C:18](=[N:24][C@@H:15]([CH2:6][CH2:7][C:17](=[O:26])[OH:27])[C:19](=[N:25][C@@H:16]([CH2:9][C:13]2=[CH:10][N:22]=[CH:11][NH:23]2)[C:20](=[O:30])[OH:31])[OH:29])[OH:28])[NH2:21])[CH:5]=[CH:3]1 |
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