3-[[3-[(4-cyanophenyl)methylsulfanyl]-3-methyl-1-oxidanylidene-1-phenylazanyl-butan-2-yl]carbamoyl]-6-(4-phenylphenyl)hexanoic acid

Systemtic Name: 3-[[3-[(4-cyanophenyl)methylsulfanyl]-3-methyl-1-oxidanylidene-1-phenylazanyl-butan-2-yl]carbamoyl]-6-(4-phenylphenyl)hexanoic acid Openeye Name: 3-[[2-[(4-cyanophenyl)methylsulfanyl]-2-methyl-1-(phenylcarbamoyl)propyl]carbamoyl]-6-(4-phenylphenyl)hexanoic acid CAS Name: 3-[[[1-anilino-3-[(4-cyanophenyl)methylthio]-3-methyl-1-oxobutan-2-yl]amino]-oxomethyl]-6-(4-phenylphenyl)hexanoic acid IUPAC Name: 3-[[1-anilino-3-[(4-cyanophenyl)methylsulfanyl]-3-methyl-1-oxobutan-2-yl]carbamoyl]-6-(4-phenylphenyl)hexanoic acid Traditional Name: 3-[[2-[(4-cyanobenzyl)thio]-2-methyl-1-(phenylcarbamoyl)propyl]carbamoyl]-6-(4-phenylphenyl)hexanoic acid Formula: C38H39N3O4S MolecularWeight: 633.79896

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)NC1=CC=CC=C1)NC(=O)C(CCCC2=CC=C(C=C2)C3=CC=CC=C3)CC(=O)O)SCC4=CC=C(C=C4)C#N

Isomeric SMILES

CC(C)(C(C(=O)NC1=CC=CC=C1)NC(=O)C(CCCC2=CC=C(C=C2)C3=CC=CC=C3)CC(=O)O)SCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C38H39N3O4S/c1-38(2,46-26-29-18-16-28(25-39)17-19-29)35(37(45)40-33-14-7-4-8-15-33)41-36(44)32(24-34(42)43)13-9-10-27-20-22-31(23-21-27)30-11-5-3-6-12-30/h3-8,11-12,14-23,32,35H,9-10,13,24,26H2,1-2H3,(H,40,45)(H,41,44)(H,42,43)