(3R)-3-acetamido-N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-phenyl-propanamide

Systemtic Name: (3R)-3-acetamido-N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-phenyl-propanamide Openeye Name: (3R)-3-acetamido-N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-phenyl-propanamide CAS Name: (3R)-3-acetamido-N-[3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propyl]-3-phenylpropanamide IUPAC Name: (3R)-3-acetamido-N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-3-phenylpropanamide Traditional Name: (3R)-3-acetamido-N-[3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propyl]-3-phenyl-propionamide Formula: C22H31N5O2S MolecularWeight: 429.57884

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)NCCCC1=NN=C(N1C2CCCC2)SC)C3=CC=CC=C3

Isomeric SMILES

CC(=O)N[C@H](CC(=O)NCCCC1=NN=C(N1C2CCCC2)SC)C3=CC=CC=C3

InChI

InChI=1S/C22H31N5O2S/c1-16(28)24-19(17-9-4-3-5-10-17)15-21(29)23-14-8-13-20-25-26-22(30-2)27(20)18-11-6-7-12-18/h3-5,9-10,18-19H,6-8,11-15H2,1-2H3,(H,23,29)(H,24,28)/t19-/m1/s1