(2S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
AlkaPlorer ID: AK356572
Synonym: None
IUPAC Name: (2S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
Structure
SMILES: COC1=CC=C(CCNC(=O)[C@H](C)N2C(=O)C3=CC=CC=C3C2=O)C=C1OC
InChI: InChI=1S/C21H22N2O5/c1-13(23-20(25)15-6-4-5-7-16(15)21(23)26)19(24)22-11-10-14-8-9-17(27-2)18(12-14)28-3/h4-9,12-13H,10-11H2,1-3H3,(H,22,24)/t13-/m0/s1
InChIKey: CNKUVYJIDHDKAI-ZDUSSCGKSA-N
Reference
A comprehensive genome‐scale reconstruction of <i>Escherichia coli</i> metabolism—2011
A community-driven global reconstruction of human metabolism
PubChem CID: 1181193
Source
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Properties Information
Molecule Weight: 382.41600000000017
TPSA？: 84.94000000000001
MolLogP？: 2.0472
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 3
Activities Information
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