| Properties | Image |
| MNX_ID | MNXM1122988 |
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| reference | chebi:160386 |
| formula | C17H26N4O5 |
| global charge | 0 |
| mol weight | 366.418 |
| InChIKey | RQILLQOQXLZTCK-KBPBESRZSA-N |
| InChI | InChI=1S/C17H26N4O5/c18-8-2-1-3-13(19)16(25)21-14(17(26)20-10-15(23)24)9-11-4-6-12(22)7-5-11/h4-7,13-14,22H,1-3,8-10,18-19H2,(H,20,26)(H,21,25)(H,23,24)/t13-,14-/m0/s1 |
| SMILES | NCCCC[C@H](N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)NCC(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C17H26N4O5/c18-8-2-1-3-13(19)16(25)21-14(17(26)20-10-15(23)24)9-11-4-6-12(22)7-5-11/h4-7,13-14,22H,1-3,8-10,18-19H2,(H,20,26)(H,21,25)(H,23,24)/t13-,14-/m0/s1 |
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| SMILES (mnx) | [CH2:1]([CH2:2][CH2:8][NH2:18])[CH2:3][C@@H:13]([C:16](=[N:21][C@@H:14]([CH2:9][C:11]1=[CH:5][CH:7]=[C:12]([OH:22])[CH:6]=[CH:4]1)[C:17](=[N:20][CH2:10][C:15](=[O:23])[OH:24])[OH:26])[OH:25])[NH2:19] |
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