2-[[4-[(3-methyl-2-sulfanyl-butanoyl)amino]thian-4-yl]carbonylamino]-3-(4-phenylphenyl)propanoic acid

Systemtic Name: 2-[[4-[(3-methyl-2-sulfanyl-butanoyl)amino]thian-4-yl]carbonylamino]-3-(4-phenylphenyl)propanoic acid Openeye Name: 2-[[4-[(3-methyl-2-sulfanyl-butanoyl)amino]tetrahydrothiopyran-4-carbonyl]amino]-3-(4-phenylphenyl)propanoic acid CAS Name: 2-[[[4-[(2-mercapto-3-methyl-1-oxobutyl)amino]-4-thianyl]-oxomethyl]amino]-3-(4-phenylphenyl)propanoic acid IUPAC Name: 2-[[4-[(3-methyl-2-sulfanylbutanoyl)amino]thiane-4-carbonyl]amino]-3-(4-phenylphenyl)propanoic acid Traditional Name: 2-[[4-[(2-mercapto-3-methyl-butanoyl)amino]tetrahydrothiopyran-4-carbonyl]amino]-3-(4-phenylphenyl)propionic acid Formula: C26H32N2O4S2 MolecularWeight: 500.67328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1(CCSCC1)C(=O)NC(CC2=CC=C(C=C2)C3=CC=CC=C3)C(=O)O)S

Isomeric SMILES

CC(C)C(C(=O)NC1(CCSCC1)C(=O)NC(CC2=CC=C(C=C2)C3=CC=CC=C3)C(=O)O)S

InChI

InChI=1S/C26H32N2O4S2/c1-17(2)22(33)23(29)28-26(12-14-34-15-13-26)25(32)27-21(24(30)31)16-18-8-10-20(11-9-18)19-6-4-3-5-7-19/h3-11,17,21-22,33H,12-16H2,1-2H3,(H,27,32)(H,28,29)(H,30,31)