2-azanyl-3-(methylsulfanylmethyl)-2-(2-phenylphenyl)carbonyl-5-pyridin-3-yl-pent-4-ynoic acid hydrochloride

Systemtic Name: 2-azanyl-3-(methylsulfanylmethyl)-2-(2-phenylphenyl)carbonyl-5-pyridin-3-yl-pent-4-ynoic acid hydrochloride Openeye Name: 2-amino-3-(methylsulfanylmethyl)-2-(2-phenylbenzoyl)-5-(3-pyridyl)pent-4-ynoic acid hydrochloride CAS Name: 2-amino-3-[(methylthio)methyl]-2-[oxo-(2-phenylphenyl)methyl]-5-(3-pyridinyl)-4-pentynoic acid hydrochloride IUPAC Name: 2-amino-3-(methylsulfanylmethyl)-2-(2-phenylbenzoyl)-5-pyridin-3-ylpent-4-ynoic acid hydrochloride Traditional Name: 2-amino-3-[(methylthio)methyl]-2-(2-phenylbenzoyl)-5-(3-pyridyl)pent-4-ynoic acid hydrochloride Formula: C25H23ClN2O3S MolecularWeight: 466.97972

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(C#CC1=CN=CC=C1)C(C(=O)C2=CC=CC=C2C3=CC=CC=C3)(C(=O)O)N.Cl

Isomeric SMILES

CSCC(C#CC1=CN=CC=C1)C(C(=O)C2=CC=CC=C2C3=CC=CC=C3)(C(=O)O)N.Cl

InChI

InChI=1S/C25H22N2O3S.ClH/c1-31-17-20(14-13-18-8-7-15-27-16-18)25(26,24(29)30)23(28)22-12-6-5-11-21(22)19-9-3-2-4-10-19;/h2-12,15-16,20H,17,26H2,1H3,(H,29,30);1H