5-[2-(1-adamantyl)ethoxy]-2-azanyl-2-[2-(2-methylphenyl)phenyl]carbonyl-4-methylsulfanyl-pentanoic acid

Systemtic Name: 5-[2-(1-adamantyl)ethoxy]-2-azanyl-2-[2-(2-methylphenyl)phenyl]carbonyl-4-methylsulfanyl-pentanoic acid Openeye Name: 5-[2-(1-adamantyl)ethoxy]-2-amino-4-methylsulfanyl-2-[2-(o-tolyl)benzoyl]pentanoic acid CAS Name: 5-[2-(1-adamantyl)ethoxy]-2-amino-2-[[2-(2-methylphenyl)phenyl]-oxomethyl]-4-(methylthio)pentanoic acid IUPAC Name: 5-[2-(1-adamantyl)ethoxy]-2-amino-2-[2-(2-methylphenyl)benzoyl]-4-methylsulfanylpentanoic acid Traditional Name: 5-[2-(1-adamantyl)ethoxy]-2-amino-4-(methylthio)-2-[2-(o-tolyl)benzoyl]valeric acid Formula: C32H41NO4S MolecularWeight: 535.73724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC=CC=C2C(=O)C(CC(COCCC34CC5CC(C3)CC(C5)C4)SC)(C(=O)O)N

Isomeric SMILES

CC1=CC=CC=C1C2=CC=CC=C2C(=O)C(CC(COCCC34CC5CC(C3)CC(C5)C4)SC)(C(=O)O)N

InChI

InChI=1S/C32H41NO4S/c1-21-7-3-4-8-26(21)27-9-5-6-10-28(27)29(34)32(33,30(35)36)19-25(38-2)20-37-12-11-31-16-22-13-23(17-31)15-24(14-22)18-31/h3-10,22-25H,11-20,33H2,1-2H3,(H,35,36)