| Properties | Image |
|---|
| MNX_ID | MNXM1120501 |
 |
| reference | chebi:157856 |
| formula | C20H26N6O5 |
| global charge | 0 |
| mol weight | 430.465 |
| InChIKey | FBCURAVMSXNOLP-JYJNAYRXSA-N |
| InChI | InChI=1S/C20H26N6O5/c21-14(9-13-10-23-11-24-13)18(28)26-16(8-12-4-2-1-3-5-12)19(29)25-15(20(30)31)6-7-17(22)27/h1-5,10-11,14-16H,6-9,21H2,(H2,22,27)(H,23,24)(H,25,29)(H,26,28)(H,30,31)/t14-,15-,16-/m0/s1 |
| SMILES | NC(=O)CC[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](N)CC1=CN=CN1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C20H26N6O5/c21-14(9-13-10-23-11-24-13)18(28)26-16(8-12-4-2-1-3-5-12)19(29)25-15(20(30)31)6-7-17(22)27/h1-5,10-11,14-16H,6-9,21H2,(H2,22,27)(H,23,24)(H,25,29)(H,26,28)(H,30,31)/t14-,15-,16-/m0/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:12]([CH2:8][C@@H:16]([C:19](=[N:25][C@@H:15]([CH2:6][CH2:7][C:17](=[NH:22])[OH:27])[C:20](=[O:30])[OH:31])[OH:29])[N:26]=[C:18]([C@H:14]([CH2:9][C:13]2=[CH:10][N:23]=[CH:11][NH:24]2)[NH2:21])[OH:28])[CH:5]=[CH:3]1 |
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