| Properties | Image |
| MNX_ID | MNXM1124283 |
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| reference | chebi:161687 |
| formula | C17H26N4O4 |
| global charge | 0 |
| mol weight | 350.419 |
| InChIKey | AUJWXNGCAQWLEI-KBPBESRZSA-N |
| InChI | InChI=1S/C17H26N4O4/c18-9-5-4-8-14(17(25)20-11-15(22)23)21-16(24)13(19)10-12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-11,18-19H2,(H,20,25)(H,21,24)(H,22,23)/t13-,14-/m0/s1 |
| SMILES | NCCCC[C@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)NCC(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C17H26N4O4/c18-9-5-4-8-14(17(25)20-11-15(22)23)21-16(24)13(19)10-12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-11,18-19H2,(H,20,25)(H,21,24)(H,22,23)/t13-,14-/m0/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:2][CH:6]=[C:12]([CH2:10][C@@H:13]([C:16](=[N:21][C@@H:14]([CH2:8][CH2:4][CH2:5][CH2:9][NH2:18])[C:17](=[N:20][CH2:11][C:15](=[O:22])[OH:23])[OH:25])[OH:24])[NH2:19])[CH:7]=[CH:3]1 |
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