Concept information
Preferred term
JBIR 111
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C21H28N2O5
inchi
- InChI=1S/C21H28N2O5/c1-14(6-11-18(25)22-21(3,13-24)20(27)28)12-15(2)19(26)16-7-9-17(10-8-16)23(4)5/h6-12,15,24H,13H2,1-5H3,(H,22,25)(H,27,28)/b11-6+,14-12+/t15-,21?/m1/s1
inchikey
- VTYVYDJWZOWXEE-CQETWIIASA-N
mass
- 388.464
monoisotopicmass
- 388.19982
smiles
- O=C(NC(C(=O)O)(CO)C)/C=C/C(=C/[C@H](C(=O)C1=CC=C(N(C)C)C=C1)C)/C
subset
- 2_STAR
synonym EXACT
- 2-[[(2E,4E,6R)-7-[4-(dimethylamino)phenyl]-4,6-dimethyl-7-oxohepta-2,4-dienoyl]amino]-3-hydroxy-2-methylpropanoic acid
In other languages
-
English
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:202727
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