2-[[1-[(3-methyl-2-sulfanyl-pentanoyl)amino]cyclopentyl]carbonylamino]-3-(4-pyrimidin-5-ylphenyl)propanoic acid

Systemtic Name: 2-[[1-[(3-methyl-2-sulfanyl-pentanoyl)amino]cyclopentyl]carbonylamino]-3-(4-pyrimidin-5-ylphenyl)propanoic acid Openeye Name: 2-[[1-[(3-methyl-2-sulfanyl-pentanoyl)amino]cyclopentanecarbonyl]amino]-3-(4-pyrimidin-5-ylphenyl)propanoic acid CAS Name: 2-[[[1-[(2-mercapto-3-methyl-1-oxopentyl)amino]cyclopentyl]-oxomethyl]amino]-3-[4-(5-pyrimidinyl)phenyl]propanoic acid IUPAC Name: 2-[[1-[(3-methyl-2-sulfanylpentanoyl)amino]cyclopentanecarbonyl]amino]-3-(4-pyrimidin-5-ylphenyl)propanoic acid Traditional Name: 2-[[1-[(2-mercapto-3-methyl-pentanoyl)amino]cyclopentanecarbonyl]amino]-3-[4-(5-pyrimidyl)phenyl]propionic acid Formula: C25H32N4O4S MolecularWeight: 484.61098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N4O4S/c1-3-16(2)21(34)22(30)29-25(10-4-5-11-25)24(33)28-20(23(31)32)12-17-6-8-18(9-7-17)19-13-26-15-27-14-19/h6-9,13-16,20-21,34H,3-5,10-12H2,1-2H3,(H,28,33)(H,29,30)(H,31,32)