3-(4-cyclohexylphenyl)-2-[[1-[(3-phenyl-2-sulfanyl-propanoyl)amino]cyclopentyl]carbonylamino]propanoic acid

Systemtic Name: 3-(4-cyclohexylphenyl)-2-[[1-[(3-phenyl-2-sulfanyl-propanoyl)amino]cyclopentyl]carbonylamino]propanoic acid Openeye Name: 3-(4-cyclohexylphenyl)-2-[[1-[(3-phenyl-2-sulfanyl-propanoyl)amino]cyclopentanecarbonyl]amino]propanoic acid CAS Name: 3-(4-cyclohexylphenyl)-2-[[[1-[(2-mercapto-1-oxo-3-phenylpropyl)amino]cyclopentyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-(4-cyclohexylphenyl)-2-[[1-[(3-phenyl-2-sulfanylpropanoyl)amino]cyclopentanecarbonyl]amino]propanoic acid Traditional Name: 3-(4-cyclohexylphenyl)-2-[[1-[(2-mercapto-3-phenyl-propanoyl)amino]cyclopentanecarbonyl]amino]propionic acid Formula: C30H38N2O4S MolecularWeight: 522.69872

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)CC(C(=O)O)NC(=O)C3(CCCC3)NC(=O)C(CC4=CC=CC=C4)S

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)CC(C(=O)O)NC(=O)C3(CCCC3)NC(=O)C(CC4=CC=CC=C4)S

InChI

InChI=1S/C30H38N2O4S/c33-27(26(37)20-21-9-3-1-4-10-21)32-30(17-7-8-18-30)29(36)31-25(28(34)35)19-22-13-15-24(16-14-22)23-11-5-2-6-12-23/h1,3-4,9-10,13-16,23,25-26,37H,2,5-8,11-12,17-20H2,(H,31,36)(H,32,33)(H,34,35)