| Properties | Image |
|---|
| MNX_ID | MNXM1125347 |
 |
| reference | chebi:162759 |
| formula | C20H30N4O5 |
| global charge | 0 |
| mol weight | 406.483 |
| InChIKey | UIUWGMRJTWHIJZ-ULQDDVLXSA-N |
| InChI | InChI=1S/C20H30N4O5/c21-10-2-1-4-16(20(28)29)23-19(27)17(12-13-6-8-14(25)9-7-13)24-18(26)15-5-3-11-22-15/h6-9,15-17,22,25H,1-5,10-12,21H2,(H,23,27)(H,24,26)(H,28,29)/t15-,16-,17-/m0/s1 |
| SMILES | NCCCC[C@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H]1CCCN1)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C20H30N4O5/c21-10-2-1-4-16(20(28)29)23-19(27)17(12-13-6-8-14(25)9-7-13)24-18(26)15-5-3-11-22-15/h6-9,15-17,22,25H,1-5,10-12,21H2,(H,23,27)(H,24,26)(H,28,29)/t15-,16-,17-/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]([CH2:2][CH2:10][NH2:21])[CH2:4][C@@H:16]([C:20](=[O:28])[OH:29])[N:23]=[C:19]([C@H:17]([CH2:12][C:13]1=[CH:7][CH:9]=[C:14]([OH:25])[CH:8]=[CH:6]1)[N:24]=[C:18]([C@@H:15]1[CH2:5][CH2:3][CH2:11][NH:22]1)[OH:26])[OH:27] |
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