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

Systemtic Name: 2-[[5-[(1S)-1-azanyl-2-phenyl-ethyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-[(1S)-1-amino-2-phenyl-ethyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-[(1S)-1-amino-2-phenylethyl]-4-phenethyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-[(1S)-1-amino-2-phenylethyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-[(1S)-1-amino-2-phenyl-ethyl]-4-phenethyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=NN=C2SCC(=O)O)C(CC3=CC=CC=C3)N

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=NN=C2SCC(=O)O)[C@H](CC3=CC=CC=C3)N

InChI

InChI=1S/C20H22N4O2S/c21-17(13-16-9-5-2-6-10-16)19-22-23-20(27-14-18(25)26)24(19)12-11-15-7-3-1-4-8-15/h1-10,17H,11-14,21H2,(H,25,26)/t17-/m0/s1