2-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]-4-piperidin-1-yl-benzoic acid

Systemtic Name: 2-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]-4-piperidin-1-yl-benzoic acid Openeye Name: 2-[(2-benzyl-3-sulfanyl-propanoyl)amino]-4-(1-piperidyl)benzoic acid CAS Name: 2-[[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]-4-(1-piperidinyl)benzoic acid IUPAC Name: 2-[(2-benzyl-3-sulfanylpropanoyl)amino]-4-piperidin-1-ylbenzoic acid Traditional Name: 2-[(2-benzyl-3-mercapto-propanoyl)amino]-4-piperidino-benzoic acid Formula: C22H26N2O3S MolecularWeight: 398.51844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC(=C(C=C2)C(=O)O)NC(=O)C(CC3=CC=CC=C3)CS

Isomeric SMILES

C1CCN(CC1)C2=CC(=C(C=C2)C(=O)O)NC(=O)C(CC3=CC=CC=C3)CS

InChI

InChI=1S/C22H26N2O3S/c25-21(17(15-28)13-16-7-3-1-4-8-16)23-20-14-18(9-10-19(20)22(26)27)24-11-5-2-6-12-24/h1,3-4,7-10,14,17,28H,2,5-6,11-13,15H2,(H,23,25)(H,26,27)