2-azanyl-2-[2-[4-(naphthalen-1-ylmethyl)pyrimidin-2-yl]propanethioyl]hexanoic acid

Systemtic Name: 2-azanyl-2-[2-[4-(naphthalen-1-ylmethyl)pyrimidin-2-yl]propanethioyl]hexanoic acid Openeye Name: 2-amino-2-[2-[4-(1-naphthylmethyl)pyrimidin-2-yl]propanethioyl]hexanoic acid CAS Name: 2-amino-2-[2-[4-(1-naphthalenylmethyl)-2-pyrimidinyl]-1-sulfanylidenepropyl]hexanoic acid IUPAC Name: 2-amino-2-[2-[4-(naphthalen-1-ylmethyl)pyrimidin-2-yl]propanethioyl]hexanoic acid Traditional Name: 2-amino-2-[2-[4-(1-naphthylmethyl)pyrimidin-2-yl]propanethioyl]hexanoic acid Formula: C24H27N3O2S MolecularWeight: 421.55508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=S)C(C)C1=NC=CC(=N1)CC2=CC=CC3=CC=CC=C32)(C(=O)O)N

Isomeric SMILES

CCCCC(C(=S)C(C)C1=NC=CC(=N1)CC2=CC=CC3=CC=CC=C32)(C(=O)O)N

InChI

InChI=1S/C24H27N3O2S/c1-3-4-13-24(25,23(28)29)21(30)16(2)22-26-14-12-19(27-22)15-18-10-7-9-17-8-5-6-11-20(17)18/h5-12,14,16H,3-4,13,15,25H2,1-2H3,(H,28,29)