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

Systemtic Name: methyl 2-[[5-[(1S)-1-azanyl-2-phenyl-ethyl]-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]sulfonyl]propanoate Openeye Name: methyl 2-[[5-[(1S)-1-amino-2-phenyl-ethyl]-4-(4-benzyloxyphenyl)-1,2,4-triazol-3-yl]sulfonyl]propanoate CAS Name: 2-[[5-[(1S)-1-amino-2-phenylethyl]-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]sulfonyl]propanoic acid methyl ester IUPAC Name: methyl 2-[[5-[(1S)-1-amino-2-phenylethyl]-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-3-yl]sulfonyl]propanoate Traditional Name: 2-[[5-[(1S)-1-amino-2-phenyl-ethyl]-4-(4-benzoxyphenyl)-1,2,4-triazol-3-yl]sulfonyl]propionic acid methyl ester Formula: C27H28N4O5S MolecularWeight: 520.60002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)S(=O)(=O)C1=NN=C(N1C2=CC=C(C=C2)OCC3=CC=CC=C3)C(CC4=CC=CC=C4)N

Isomeric SMILES

CC(C(=O)OC)S(=O)(=O)C1=NN=C(N1C2=CC=C(C=C2)OCC3=CC=CC=C3)[C@H](CC4=CC=CC=C4)N

InChI

InChI=1S/C27H28N4O5S/c1-19(26(32)35-2)37(33,34)27-30-29-25(24(28)17-20-9-5-3-6-10-20)31(27)22-13-15-23(16-14-22)36-18-21-11-7-4-8-12-21/h3-16,19,24H,17-18,28H2,1-2H3/t19?,24-/m0/s1