| Properties | Image |
|---|
| MNX_ID | MNXM744786 |
 |
| reference | biggM:lyspheile |
| formula | C21H35N4O4 |
| global charge | 1 |
| mol weight | 407.535 |
| InChIKey | LMGNWHDWJDIOPK-NXCDMZCRSA-O |
| InChI | InChI=1S/C21H34N4O4/c1-3-14(2)18(21(28)29)25-20(27)17(13-15-9-5-4-6-10-15)24-19(26)16(23)11-7-8-12-22/h4-6,9-10,14,16-18H,3,7-8,11-13,22-23H2,1-2H3,(H,24,26)(H,25,27)(H,28,29)/p+1/t14?,16-,17+,18-/m1/s1 |
| SMILES | CCC(C)[C@@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](N)CCCC[NH3+])C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C21H34N4O4/c1-3-14(2)18(21(28)29)25-20(27)17(13-15-9-5-4-6-10-15)24-19(26)16(23)11-7-8-12-22/h4-6,9-10,14,16-18H,3,7-8,11-13,22-23H2,1-2H3,(H,24,26)(H,25,27)(H,28,29)/t14?,16-,17+,18-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH:14]([CH3:2])[C@H:18]([C:21](=[O:28])[OH:29])[N:25]=[C:20]([C@H:17]([CH2:13][C:15]1=[CH:9][CH:5]=[CH:4][CH:6]=[CH:10]1)[N:24]=[C:19]([C@@H:16]([CH2:11][CH2:7][CH2:8][CH2:12][NH2:22])[NH2:23])[OH:26])[OH:27] |
|