methyl 2-[[5-[(1S)-1-azanyl-2-phenyl-ethyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]propanoate

Systemtic Name: methyl 2-[[5-[(1S)-1-azanyl-2-phenyl-ethyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: methyl 2-[[5-[(1S)-1-amino-2-phenyl-ethyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 2-[[5-[(1S)-1-amino-2-phenylethyl]-4-phenethyl-1,2,4-triazol-3-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 2-[[5-[(1S)-1-amino-2-phenylethyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 2-[[5-[(1S)-1-amino-2-phenyl-ethyl]-4-phenethyl-1,2,4-triazol-3-yl]thio]propionic acid methyl ester Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)SC1=NN=C(N1CCC2=CC=CC=C2)C(CC3=CC=CC=C3)N

Isomeric SMILES

CC(C(=O)OC)SC1=NN=C(N1CCC2=CC=CC=C2)[C@H](CC3=CC=CC=C3)N

InChI

InChI=1S/C22H26N4O2S/c1-16(21(27)28-2)29-22-25-24-20(19(23)15-18-11-7-4-8-12-18)26(22)14-13-17-9-5-3-6-10-17/h3-12,16,19H,13-15,23H2,1-2H3/t16?,19-/m0/s1