2-[2-[[5-(4-carbamimidoylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanoylamino]-3-(2-ethylphenyl)propanoic acid

Systemtic Name: 2-[2-[[5-(4-carbamimidoylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanoylamino]-3-(2-ethylphenyl)propanoic acid Openeye Name: 2-[[2-[[5-(4-carbamimidoylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-3-(2-ethylphenyl)propanoic acid CAS Name: 2-[[2-[[5-(4-carbamimidoylphenyl)-1,3,4-oxadiazol-2-yl]thio]-1-oxoethyl]amino]-3-(2-ethylphenyl)propanoic acid IUPAC Name: 2-[[2-[[5-(4-carbamimidoylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-3-(2-ethylphenyl)propanoic acid Traditional Name: 2-[[2-[[5-(4-amidinophenyl)-1,3,4-oxadiazol-2-yl]thio]acetyl]amino]-3-(2-ethylphenyl)propionic acid Formula: C22H23N5O4S MolecularWeight: 453.51412

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1CC(C(=O)O)NC(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCC1=CC=CC=C1CC(C(=O)O)NC(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C22H23N5O4S/c1-2-13-5-3-4-6-16(13)11-17(21(29)30)25-18(28)12-32-22-27-26-20(31-22)15-9-7-14(8-10-15)19(23)24/h3-10,17H,2,11-12H2,1H3,(H3,23,24)(H,25,28)(H,29,30)