| Properties | Image |
| MNX_ID | MNXM1121188 |
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| reference | chebi:158575 |
| formula | C16H20N4O4 |
| global charge | 0 |
| mol weight | 332.36 |
| InChIKey | LFFOJBOTZUWINF-ZANVPECISA-N |
| InChI | InChI=1S/C16H20N4O4/c1-9(17)15(23)20-13(16(24)19-8-14(21)22)6-10-7-18-12-5-3-2-4-11(10)12/h2-5,7,9,13,18H,6,8,17H2,1H3,(H,19,24)(H,20,23)(H,21,22)/t9-,13-/m0/s1 |
| SMILES | C[C@H](N)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)NCC(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C16H20N4O4/c1-9(17)15(23)20-13(16(24)19-8-14(21)22)6-10-7-18-12-5-3-2-4-11(10)12/h2-5,7,9,13,18H,6,8,17H2,1H3,(H,19,24)(H,20,23)(H,21,22)/t9-,13-/m0/s1 |
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| SMILES (mnx) | [CH3:1][C@@H:9]([C:15](=[N:20][C@@H:13]([CH2:6][C:10]1=[CH:7][NH:18][C:12]2=[CH:5][CH:3]=[CH:2][CH:4]=[C:11]12)[C:16](=[N:19][CH2:8][C:14](=[O:21])[OH:22])[OH:24])[OH:23])[NH2:17] |
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