| Properties | Image |
|---|
| MNX_ID | MNXM1122994 |
 |
| reference | chebi:160392 |
| formula | C21H34N4O5 |
| global charge | 0 |
| mol weight | 422.526 |
| InChIKey | MIMXMVDLMDMOJD-BZSNNMDCSA-N |
| InChI | InChI=1S/C21H34N4O5/c1-13(2)11-18(21(29)30)25-20(28)17(12-14-6-8-15(26)9-7-14)24-19(27)16(23)5-3-4-10-22/h6-9,13,16-18,26H,3-5,10-12,22-23H2,1-2H3,(H,24,27)(H,25,28)(H,29,30)/t16-,17-,18-/m0/s1 |
| SMILES | CC(C)C[C@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](N)CCCCN)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C21H34N4O5/c1-13(2)11-18(21(29)30)25-20(28)17(12-14-6-8-15(26)9-7-14)24-19(27)16(23)5-3-4-10-22/h6-9,13,16-18,26H,3-5,10-12,22-23H2,1-2H3,(H,24,27)(H,25,28)(H,29,30)/t16-,17-,18-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:13]([CH3:2])[CH2:11][C@@H:18]([C:21](=[O:29])[OH:30])[N:25]=[C:20]([C@H:17]([CH2:12][C:14]1=[CH:7][CH:9]=[C:15]([OH:26])[CH:8]=[CH:6]1)[N:24]=[C:19]([C@H:16]([CH2:5][CH2:3][CH2:4][CH2:10][NH2:22])[NH2:23])[OH:27])[OH:28] |
|