| Properties | Image |
| MNX_ID | MNXM1124257 |
 |
| reference | chebi:161660 |
| formula | C20H29N3O4 |
| global charge | 0 |
| mol weight | 375.469 |
| InChIKey | OSBADCBXAMSPQD-YESZJQIVSA-N |
| InChI | InChI=1S/C20H29N3O4/c1-13(2)11-16(19(25)23-10-6-9-17(23)20(26)27)22-18(24)15(21)12-14-7-4-3-5-8-14/h3-5,7-8,13,15-17H,6,9-12,21H2,1-2H3,(H,22,24)(H,26,27)/t15-,16-,17+/m0/s1 |
| SMILES | CC(C)C[C@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)N1CCC[C@@H]1C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C20H29N3O4/c1-13(2)11-16(19(25)23-10-6-9-17(23)20(26)27)22-18(24)15(21)12-14-7-4-3-5-8-14/h3-5,7-8,13,15-17H,6,9-12,21H2,1-2H3,(H,22,24)(H,26,27)/t15-,16-,17+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:13]([CH3:2])[CH2:11][C@@H:16]([C:19]([N:23]1[CH2:10][CH2:6][CH2:9][C@@H:17]1[C:20](=[O:26])[OH:27])=[O:25])[N:22]=[C:18]([C@H:15]([CH2:12][C:14]1=[CH:7][CH:4]=[CH:3][CH:5]=[CH:8]1)[NH2:21])[OH:24] |
|