2-[(4-cyclohexylphenyl)methylamino]-3-sulfanyl-propanoic acid

Systemtic Name: 2-[(4-cyclohexylphenyl)methylamino]-3-sulfanyl-propanoic acid Openeye Name: 2-[(4-cyclohexylphenyl)methylamino]-3-sulfanyl-propanoic acid CAS Name: 2-[(4-cyclohexylphenyl)methylamino]-3-mercaptopropanoic acid IUPAC Name: 2-[(4-cyclohexylphenyl)methylamino]-3-sulfanylpropanoic acid Traditional Name: 2-[(4-cyclohexylbenzyl)amino]-3-mercapto-propionic acid Formula: C16H23NO2S MolecularWeight: 293.42432

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)CNC(CS)C(=O)O

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)CNC(CS)C(=O)O

InChI

InChI=1S/C16H23NO2S/c18-16(19)15(11-20)17-10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h6-9,13,15,17,20H,1-5,10-11H2,(H,18,19)