3-phenyl-2-[[1-(sulfanylmethyl)cycloheptyl]carbonylamino]propanoic acid

Systemtic Name: 3-phenyl-2-[[1-(sulfanylmethyl)cycloheptyl]carbonylamino]propanoic acid Openeye Name: 3-phenyl-2-[[1-(sulfanylmethyl)cycloheptanecarbonyl]amino]propanoic acid CAS Name: 2-[[[1-(mercaptomethyl)cycloheptyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-phenyl-2-[[1-(sulfanylmethyl)cycloheptanecarbonyl]amino]propanoic acid Traditional Name: 2-[[1-(mercaptomethyl)cycloheptanecarbonyl]amino]-3-phenyl-propionic acid Formula: C18H25NO3S MolecularWeight: 335.461

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(CS)C(=O)NC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1CCCC(CC1)(CS)C(=O)NC(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C18H25NO3S/c20-16(21)15(12-14-8-4-3-5-9-14)19-17(22)18(13-23)10-6-1-2-7-11-18/h3-5,8-9,15,23H,1-2,6-7,10-13H2,(H,19,22)(H,20,21)