3-(3-methoxy-4-phenyl-phenyl)-2-[[1-[(3-methyl-2-sulfanyl-butanoyl)amino]cyclopentyl]carbonylamino]propanoic acid

Systemtic Name: 3-(3-methoxy-4-phenyl-phenyl)-2-[[1-[(3-methyl-2-sulfanyl-butanoyl)amino]cyclopentyl]carbonylamino]propanoic acid Openeye Name: 3-(3-methoxy-4-phenyl-phenyl)-2-[[1-[(3-methyl-2-sulfanyl-butanoyl)amino]cyclopentanecarbonyl]amino]propanoic acid CAS Name: 2-[[[1-[(2-mercapto-3-methyl-1-oxobutyl)amino]cyclopentyl]-oxomethyl]amino]-3-(3-methoxy-4-phenylphenyl)propanoic acid IUPAC Name: 3-(3-methoxy-4-phenylphenyl)-2-[[1-[(3-methyl-2-sulfanylbutanoyl)amino]cyclopentanecarbonyl]amino]propanoic acid Traditional Name: 2-[[1-[(2-mercapto-3-methyl-butanoyl)amino]cyclopentanecarbonyl]amino]-3-(3-methoxy-4-phenyl-phenyl)propionic acid Formula: C27H34N2O5S MolecularWeight: 498.63426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1(CCCC1)C(=O)NC(CC2=CC(=C(C=C2)C3=CC=CC=C3)OC)C(=O)O)S

Isomeric SMILES

CC(C)C(C(=O)NC1(CCCC1)C(=O)NC(CC2=CC(=C(C=C2)C3=CC=CC=C3)OC)C(=O)O)S

InChI

InChI=1S/C27H34N2O5S/c1-17(2)23(35)24(30)29-27(13-7-8-14-27)26(33)28-21(25(31)32)15-18-11-12-20(22(16-18)34-3)19-9-5-4-6-10-19/h4-6,9-12,16-17,21,23,35H,7-8,13-15H2,1-3H3,(H,28,33)(H,29,30)(H,31,32)