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

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

COC(=O)CCSC1=NN=C(N1CCC2=CC=CC=C2)C(CC3=CC=CC=C3)N

Isomeric SMILES

COC(=O)CCSC1=NN=C(N1CCC2=CC=CC=C2)[C@H](CC3=CC=CC=C3)N

InChI

InChI=1S/C22H26N4O2S/c1-28-20(27)13-15-29-22-25-24-21(19(23)16-18-10-6-3-7-11-18)26(22)14-12-17-8-4-2-5-9-17/h2-11,19H,12-16,23H2,1H3/t19-/m0/s1