| Properties | Image |
|---|
| MNX_ID | MNXM744788 |
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| reference | biggM:lystyrile |
| formula | C21H35N4O5 |
| global charge | 1 |
| mol weight | 423.534 |
| InChIKey | IMDJSVBFQKDDEQ-FXANMCRTSA-O |
| InChI | InChI=1S/C21H34N4O5/c1-3-13(2)18(21(29)30)25-20(28)17(12-14-7-9-15(26)10-8-14)24-19(27)16(23)6-4-5-11-22/h7-10,13,16-18,26H,3-6,11-12,22-23H2,1-2H3,(H,24,27)(H,25,28)(H,29,30)/p+1/t13?,16-,17+,18-/m1/s1 |
| SMILES | CCC(C)[C@@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](N)CCCC[NH3+])C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C21H34N4O5/c1-3-13(2)18(21(29)30)25-20(28)17(12-14-7-9-15(26)10-8-14)24-19(27)16(23)6-4-5-11-22/h7-10,13,16-18,26H,3-6,11-12,22-23H2,1-2H3,(H,24,27)(H,25,28)(H,29,30)/t13?,16-,17+,18-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH:13]([CH3:2])[C@H:18]([C:21](=[O:29])[OH:30])[N:25]=[C:20]([C@H:17]([CH2:12][C:14]1=[CH:8][CH:10]=[C:15]([OH:26])[CH:9]=[CH:7]1)[N:24]=[C:19]([C@@H:16]([CH2:6][CH2:4][CH2:5][CH2:11][NH2:22])[NH2:23])[OH:27])[OH:28] |
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