2-azanyl-3-(3-butylphenyl)carbonyl-2-(2-methylphenyl)-4-methylsulfanyl-5-pyridin-3-yloxy-pentanoic acid

Systemtic Name: 2-azanyl-3-(3-butylphenyl)carbonyl-2-(2-methylphenyl)-4-methylsulfanyl-5-pyridin-3-yloxy-pentanoic acid Openeye Name: 2-amino-3-(3-butylbenzoyl)-4-methylsulfanyl-2-(o-tolyl)-5-(3-pyridyloxy)pentanoic acid CAS Name: 2-amino-3-[(3-butylphenyl)-oxomethyl]-2-(2-methylphenyl)-4-(methylthio)-5-(3-pyridinyloxy)pentanoic acid IUPAC Name: 2-amino-3-(3-butylbenzoyl)-2-(2-methylphenyl)-4-methylsulfanyl-5-pyridin-3-yloxypentanoic acid Traditional Name: 2-amino-3-(3-butylbenzoyl)-4-(methylthio)-2-(o-tolyl)-5-(3-pyridyloxy)valeric acid Formula: C29H34N2O4S MolecularWeight: 506.65626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC(=C1)C(=O)C(C(COC2=CN=CC=C2)SC)C(C3=CC=CC=C3C)(C(=O)O)N

Isomeric SMILES

CCCCC1=CC=CC(=C1)C(=O)C(C(COC2=CN=CC=C2)SC)C(C3=CC=CC=C3C)(C(=O)O)N

InChI

InChI=1S/C29H34N2O4S/c1-4-5-11-21-12-8-13-22(17-21)27(32)26(25(36-3)19-35-23-14-9-16-31-18-23)29(30,28(33)34)24-15-7-6-10-20(24)2/h6-10,12-18,25-26H,4-5,11,19,30H2,1-3H3,(H,33,34)