| Properties | Image |
|---|
| MNX_ID | MNXM1122787 |
 |
| reference | chebi:160182 |
| formula | C19H28N4O6 |
| global charge | 0 |
| mol weight | 408.455 |
| InChIKey | TWPCWKVOZDUYAA-KKUMJFAQSA-N |
| InChI | InChI=1S/C19H28N4O6/c20-9-5-4-8-13(21)17(26)22-14(10-12-6-2-1-3-7-12)18(27)23-15(19(28)29)11-16(24)25/h1-3,6-7,13-15H,4-5,8-11,20-21H2,(H,22,26)(H,23,27)(H,24,25)(H,28,29)/t13-,14-,15-/m0/s1 |
| SMILES | NCCCC[C@H](N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(=O)O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C19H28N4O6/c20-9-5-4-8-13(21)17(26)22-14(10-12-6-2-1-3-7-12)18(27)23-15(19(28)29)11-16(24)25/h1-3,6-7,13-15H,4-5,8-11,20-21H2,(H,22,26)(H,23,27)(H,24,25)(H,28,29)/t13-,14-,15-/m0/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:2][CH:6]=[C:12]([CH2:10][C@@H:14]([C:18](=[N:23][C@@H:15]([CH2:11][C:16](=[O:24])[OH:25])[C:19](=[O:28])[OH:29])[OH:27])[N:22]=[C:17]([C@H:13]([CH2:8][CH2:4][CH2:5][CH2:9][NH2:20])[NH2:21])[OH:26])[CH:7]=[CH:3]1 |
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