| Properties | Image |
|---|
| MNX_ID | MNXM1127903 |
 |
| reference | chebi:165940 |
| formula | C19H26N4O6 |
| global charge | 0 |
| mol weight | 406.439 |
| InChIKey | ARMNWLJYHCOSHE-KKUMJFAQSA-N |
| InChI | InChI=1S/C19H26N4O6/c20-13(10-11-3-5-12(24)6-4-11)18(27)23-9-1-2-15(23)17(26)22-14(19(28)29)7-8-16(21)25/h3-6,13-15,24H,1-2,7-10,20H2,(H2,21,25)(H,22,26)(H,28,29)/t13-,14-,15-/m0/s1 |
| SMILES | NC(=O)CC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C19H26N4O6/c20-13(10-11-3-5-12(24)6-4-11)18(27)23-9-1-2-15(23)17(26)22-14(19(28)29)7-8-16(21)25/h3-6,13-15,24H,1-2,7-10,20H2,(H2,21,25)(H,22,26)(H,28,29)/t13-,14-,15-/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]1[CH2:2][C@@H:15]([C:17](=[N:22][C@@H:14]([CH2:7][CH2:8][C:16](=[NH:21])[OH:25])[C:19](=[O:28])[OH:29])[OH:26])[N:23]([C:18]([C@H:13]([CH2:10][C:11]2=[CH:4][CH:6]=[C:12]([OH:24])[CH:5]=[CH:3]2)[NH2:20])=[O:27])[CH2:9]1 |
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