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

Systemtic Name: 2-[[1-[(3-methyl-2-sulfanyl-butyl)amino]cyclopentyl]carbonylamino]-3-(4-thiophen-3-ylphenyl)propanoic acid Openeye Name: 2-[[1-[(3-methyl-2-sulfanyl-butyl)amino]cyclopentanecarbonyl]amino]-3-[4-(3-thienyl)phenyl]propanoic acid CAS Name: 2-[[[1-[(2-mercapto-3-methylbutyl)amino]cyclopentyl]-oxomethyl]amino]-3-[4-(3-thiophenyl)phenyl]propanoic acid IUPAC Name: 2-[[1-[(3-methyl-2-sulfanylbutyl)amino]cyclopentanecarbonyl]amino]-3-(4-thiophen-3-ylphenyl)propanoic acid Traditional Name: 2-[[1-[(2-mercapto-3-methyl-butyl)amino]cyclopentanecarbonyl]amino]-3-[4-(3-thienyl)phenyl]propionic acid Formula: C24H32N2O3S2 MolecularWeight: 460.65248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNC1(CCCC1)C(=O)NC(CC2=CC=C(C=C2)C3=CSC=C3)C(=O)O)S

Isomeric SMILES

CC(C)C(CNC1(CCCC1)C(=O)NC(CC2=CC=C(C=C2)C3=CSC=C3)C(=O)O)S

InChI

InChI=1S/C24H32N2O3S2/c1-16(2)21(30)14-25-24(10-3-4-11-24)23(29)26-20(22(27)28)13-17-5-7-18(8-6-17)19-9-12-31-15-19/h5-9,12,15-16,20-21,25,30H,3-4,10-11,13-14H2,1-2H3,(H,26,29)(H,27,28)