2-[[1-[(4-methyl-2-sulfanyl-pentanoyl)amino]cyclopentyl]carbonylamino]-3-(4-pyridin-3-ylphenyl)propanoic acid

Systemtic Name: 2-[[1-[(4-methyl-2-sulfanyl-pentanoyl)amino]cyclopentyl]carbonylamino]-3-(4-pyridin-3-ylphenyl)propanoic acid Openeye Name: 2-[[1-[(4-methyl-2-sulfanyl-pentanoyl)amino]cyclopentanecarbonyl]amino]-3-[4-(3-pyridyl)phenyl]propanoic acid CAS Name: 2-[[[1-[(2-mercapto-4-methyl-1-oxopentyl)amino]cyclopentyl]-oxomethyl]amino]-3-[4-(3-pyridinyl)phenyl]propanoic acid IUPAC Name: 2-[[1-[(4-methyl-2-sulfanylpentanoyl)amino]cyclopentanecarbonyl]amino]-3-(4-pyridin-3-ylphenyl)propanoic acid Traditional Name: 2-[[1-[(2-mercapto-4-methyl-pentanoyl)amino]cyclopentanecarbonyl]amino]-3-[4-(3-pyridyl)phenyl]propionic acid Formula: C26H33N3O4S MolecularWeight: 483.62292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33N3O4S/c1-17(2)14-22(34)23(30)29-26(11-3-4-12-26)25(33)28-21(24(31)32)15-18-7-9-19(10-8-18)20-6-5-13-27-16-20/h5-10,13,16-17,21-22,34H,3-4,11-12,14-15H2,1-2H3,(H,28,33)(H,29,30)(H,31,32)