| Properties | Image |
|---|
| MNX_ID | MNXM1127739 |
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| reference | chebi:165166 |
| formula | C18H28N4O6 |
| global charge | 0 |
| mol weight | 396.444 |
| InChIKey | PGEFRHBWGOJPJT-KKUMJFAQSA-N |
| InChI | InChI=1S/C18H28N4O6/c19-8-2-1-3-14(17(26)22-15(10-23)18(27)28)21-16(25)13(20)9-11-4-6-12(24)7-5-11/h4-7,13-15,23-24H,1-3,8-10,19-20H2,(H,21,25)(H,22,26)(H,27,28)/t13-,14-,15-/m0/s1 |
| SMILES | NCCCC[C@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)N[C@@H](CO)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C18H28N4O6/c19-8-2-1-3-14(17(26)22-15(10-23)18(27)28)21-16(25)13(20)9-11-4-6-12(24)7-5-11/h4-7,13-15,23-24H,1-3,8-10,19-20H2,(H,21,25)(H,22,26)(H,27,28)/t13-,14-,15-/m0/s1 |
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| SMILES (mnx) | [CH2:1]([CH2:2][CH2:8][NH2:19])[CH2:3][C@@H:14]([C:17](=[N:22][C@@H:15]([CH2:10][OH:23])[C:18](=[O:27])[OH:28])[OH:26])[N:21]=[C:16]([C@H:13]([CH2:9][C:11]1=[CH:5][CH:7]=[C:12]([OH:24])[CH:6]=[CH:4]1)[NH2:20])[OH:25] |
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