2-[(6-azanylpyridin-3-yl)methyl]-3-sulfanyl-5-(3,4,5-trimethoxyphenyl)pentanoic acid

Systemtic Name: 2-[(6-azanylpyridin-3-yl)methyl]-3-sulfanyl-5-(3,4,5-trimethoxyphenyl)pentanoic acid Openeye Name: 2-[(6-amino-3-pyridyl)methyl]-3-sulfanyl-5-(3,4,5-trimethoxyphenyl)pentanoic acid CAS Name: 2-[(6-amino-3-pyridinyl)methyl]-3-mercapto-5-(3,4,5-trimethoxyphenyl)pentanoic acid IUPAC Name: 2-[(6-aminopyridin-3-yl)methyl]-3-sulfanyl-5-(3,4,5-trimethoxyphenyl)pentanoic acid Traditional Name: 2-[(6-amino-3-pyridyl)methyl]-3-mercapto-5-(3,4,5-trimethoxyphenyl)valeric acid Formula: C20H26N2O5S MolecularWeight: 406.49584

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CCC(C(CC2=CN=C(C=C2)N)C(=O)O)S

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CCC(C(CC2=CN=C(C=C2)N)C(=O)O)S

InChI

InChI=1S/C20H26N2O5S/c1-25-15-9-12(10-16(26-2)19(15)27-3)4-6-17(28)14(20(23)24)8-13-5-7-18(21)22-11-13/h5,7,9-11,14,17,28H,4,6,8H2,1-3H3,(H2,21,22)(H,23,24)