| Properties | Image |
|---|
| MNX_ID | MNXM1122542 |
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| reference | chebi:159936 |
| formula | C20H30N4O7 |
| global charge | 0 |
| mol weight | 438.481 |
| InChIKey | ODUQLUADRKMHOZ-JYJNAYRXSA-N |
| InChI | InChI=1S/C20H30N4O7/c21-10-2-1-3-14(22)18(28)23-15(8-9-17(26)27)19(29)24-16(20(30)31)11-12-4-6-13(25)7-5-12/h4-7,14-16,25H,1-3,8-11,21-22H2,(H,23,28)(H,24,29)(H,26,27)(H,30,31)/t14-,15-,16-/m0/s1 |
| SMILES | NCCCC[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C20H30N4O7/c21-10-2-1-3-14(22)18(28)23-15(8-9-17(26)27)19(29)24-16(20(30)31)11-12-4-6-13(25)7-5-12/h4-7,14-16,25H,1-3,8-11,21-22H2,(H,23,28)(H,24,29)(H,26,27)(H,30,31)/t14-,15-,16-/m0/s1 |
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| SMILES (mnx) | [CH2:1]([CH2:2][CH2:10][NH2:21])[CH2:3][C@@H:14]([C:18](=[N:23][C@@H:15]([CH2:8][CH2:9][C:17](=[O:26])[OH:27])[C:19](=[N:24][C@@H:16]([CH2:11][C:12]1=[CH:5][CH:7]=[C:13]([OH:25])[CH:6]=[CH:4]1)[C:20](=[O:30])[OH:31])[OH:29])[OH:28])[NH2:22] |
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