3-[2-[(3-methyl-1-phenyl-butyl)carbamoyl]-4-(1,3-thiazol-2-ylsulfanylmethyl)phenyl]propanoic acid

Systemtic Name: 3-[2-[(3-methyl-1-phenyl-butyl)carbamoyl]-4-(1,3-thiazol-2-ylsulfanylmethyl)phenyl]propanoic acid Openeye Name: 3-[2-[(3-methyl-1-phenyl-butyl)carbamoyl]-4-(thiazol-2-ylsulfanylmethyl)phenyl]propanoic acid CAS Name: 3-[2-[[(3-methyl-1-phenylbutyl)amino]-oxomethyl]-4-[(2-thiazolylthio)methyl]phenyl]propanoic acid IUPAC Name: 3-[2-[(3-methyl-1-phenylbutyl)carbamoyl]-4-(1,3-thiazol-2-ylsulfanylmethyl)phenyl]propanoic acid Traditional Name: 3-[2-[(3-methyl-1-phenyl-butyl)carbamoyl]-4-[(thiazol-2-ylthio)methyl]phenyl]propionic acid Formula: C25H28N2O3S2 MolecularWeight: 468.63142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC=C1)NC(=O)C2=C(C=CC(=C2)CSC3=NC=CS3)CCC(=O)O

Isomeric SMILES

CC(C)CC(C1=CC=CC=C1)NC(=O)C2=C(C=CC(=C2)CSC3=NC=CS3)CCC(=O)O

InChI

InChI=1S/C25H28N2O3S2/c1-17(2)14-22(20-6-4-3-5-7-20)27-24(30)21-15-18(16-32-25-26-12-13-31-25)8-9-19(21)10-11-23(28)29/h3-9,12-13,15,17,22H,10-11,14,16H2,1-2H3,(H,27,30)(H,28,29)