2-[[2-(naphthalen-1-ylmethyl)-3-pyrimidin-2-yl-propanethioyl]amino]hexanoic acid

Systemtic Name: 2-[[2-(naphthalen-1-ylmethyl)-3-pyrimidin-2-yl-propanethioyl]amino]hexanoic acid Openeye Name: 2-[[2-(1-naphthylmethyl)-3-pyrimidin-2-yl-propanethioyl]amino]hexanoic acid CAS Name: 2-[[2-(1-naphthalenylmethyl)-3-(2-pyrimidinyl)-1-sulfanylidenepropyl]amino]hexanoic acid IUPAC Name: 2-[[2-(naphthalen-1-ylmethyl)-3-pyrimidin-2-ylpropanethioyl]amino]hexanoic acid Traditional Name: 2-[[2-(1-naphthylmethyl)-3-(2-pyrimidyl)propanethioyl]amino]hexanoic acid Formula: C24H27N3O2S MolecularWeight: 421.55508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC(=S)C(CC1=CC=CC2=CC=CC=C21)CC3=NC=CC=N3

Isomeric SMILES

CCCCC(C(=O)O)NC(=S)C(CC1=CC=CC2=CC=CC=C21)CC3=NC=CC=N3

InChI

InChI=1S/C24H27N3O2S/c1-2-3-12-21(24(28)29)27-23(30)19(16-22-25-13-7-14-26-22)15-18-10-6-9-17-8-4-5-11-20(17)18/h4-11,13-14,19,21H,2-3,12,15-16H2,1H3,(H,27,30)(H,28,29)