3-phenyl-2-[[1-(3-phenyl-1-sulfanyl-propyl)cyclohexyl]carbonylamino]propanoic acid

Systemtic Name: 3-phenyl-2-[[1-(3-phenyl-1-sulfanyl-propyl)cyclohexyl]carbonylamino]propanoic acid Openeye Name: 3-phenyl-2-[[1-(3-phenyl-1-sulfanyl-propyl)cyclohexanecarbonyl]amino]propanoic acid CAS Name: 2-[[[1-(1-mercapto-3-phenylpropyl)cyclohexyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-phenyl-2-[[1-(3-phenyl-1-sulfanylpropyl)cyclohexanecarbonyl]amino]propanoic acid Traditional Name: 2-[[1-(1-mercapto-3-phenyl-propyl)cyclohexanecarbonyl]amino]-3-phenyl-propionic acid Formula: C25H31NO3S MolecularWeight: 425.58354

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(CCC2=CC=CC=C2)S)C(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CCC(CC1)(C(CCC2=CC=CC=C2)S)C(=O)NC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C25H31NO3S/c27-23(28)21(18-20-12-6-2-7-13-20)26-24(29)25(16-8-3-9-17-25)22(30)15-14-19-10-4-1-5-11-19/h1-2,4-7,10-13,21-22,30H,3,8-9,14-18H2,(H,26,29)(H,27,28)