| Properties | Image |
| MNX_ID | MNXM1126520 |
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| reference | chebi:163935 |
| formula | C16H21N3O4 |
| global charge | 0 |
| mol weight | 319.361 |
| InChIKey | IEGFSKKANYKBDU-QWHCGFSZSA-N |
| InChI | InChI=1S/C16H21N3O4/c17-10-14(20)18-12(9-11-5-2-1-3-6-11)15(21)19-8-4-7-13(19)16(22)23/h1-3,5-6,12-13H,4,7-10,17H2,(H,18,20)(H,22,23)/t12-,13+/m0/s1 |
| SMILES | NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@@H]1C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C16H21N3O4/c17-10-14(20)18-12(9-11-5-2-1-3-6-11)15(21)19-8-4-7-13(19)16(22)23/h1-3,5-6,12-13H,4,7-10,17H2,(H,18,20)(H,22,23)/t12-,13+/m0/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:2][CH:5]=[C:11]([CH2:9][C@@H:12]([C:15]([N:19]2[CH2:8][CH2:4][CH2:7][C@@H:13]2[C:16](=[O:22])[OH:23])=[O:21])[N:18]=[C:14]([CH2:10][NH2:17])[OH:20])[CH:6]=[CH:3]1 |
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