| Properties | Image |
|---|
| MNX_ID | MNXM1187914 |
 |
| reference | envipathM:...faa617937052 |
| formula | C18H27N2O4 |
| global charge | -1 |
| mol weight | 335.424 |
| InChIKey | UUTHPPRATBKXKV-UHFFFAOYSA-M |
| InChI | InChI=1S/C18H28N2O4/c1-12(2)9-13(3)19-17(22)11-16(21)15(10-18(23)24)20-14-7-5-4-6-8-14/h4-8,12-13,15,17,19-20,22H,9-11H2,1-3H3,(H,23,24)/p-1 |
| SMILES | CC(C)CC(C)NC(O)CC(=O)C(CC(=O)[O-])NC1=CC=CC=C1 |
MNX internals
| InChI (mnx) | InChI=1/C18H28N2O4/c1-12(2)9-13(3)19-17(22)11-16(21)15(10-18(23)24)20-14-7-5-4-6-8-14/h4-8,12-13,15,17,19-20,22H,9-11H2,1-3H3,(H,23,24)/t13?,15?,17? |
 |
| SMILES (mnx) | [CH3:1][CH:12]([CH3:2])[CH2:9][CH:13]([CH3:3])[NH:19][CH:17]([CH2:11][C:16]([CH:15]([CH2:10][C:18](=[O:23])[OH:24])[NH:20][C:14]1=[CH:7][CH:5]=[CH:4][CH:6]=[CH:8]1)=[O:21])[OH:22] |
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