| Properties | Image |
|---|
| MNX_ID | MNXM1127126 |
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| reference | chebi:164545 |
| formula | C19H24N4O7 |
| global charge | 0 |
| mol weight | 420.422 |
| InChIKey | NKUIXQOJUAEIET-AQZXSJQPSA-N |
| InChI | InChI=1S/C19H24N4O7/c1-9(24)16(19(29)30)23-18(28)14(7-15(25)26)22-17(27)12(20)6-10-8-21-13-5-3-2-4-11(10)13/h2-5,8-9,12,14,16,21,24H,6-7,20H2,1H3,(H,22,27)(H,23,28)(H,25,26)(H,29,30)/t9-,12+,14+,16+/m1/s1 |
| SMILES | C[C@@H](O)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CC1=CNC2=C1C=CC=C2)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C19H24N4O7/c1-9(24)16(19(29)30)23-18(28)14(7-15(25)26)22-17(27)12(20)6-10-8-21-13-5-3-2-4-11(10)13/h2-5,8-9,12,14,16,21,24H,6-7,20H2,1H3,(H,22,27)(H,23,28)(H,25,26)(H,29,30)/t9-,12+,14+,16+/m1/s1 |
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| SMILES (mnx) | [CH3:1][C@H:9]([C@@H:16]([C:19](=[O:29])[OH:30])[N:23]=[C:18]([C@H:14]([CH2:7][C:15](=[O:25])[OH:26])[N:22]=[C:17]([C@H:12]([CH2:6][C:10]1=[CH:8][NH:21][C:13]2=[CH:5][CH:3]=[CH:2][CH:4]=[C:11]12)[NH2:20])[OH:27])[OH:28])[OH:24] |
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