3-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-thiophen-2-yl-propanoic acid

Systemtic Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-(2-thienyl)propanoic acid CAS Name: 3-[[5-(4-carbamimidoylphenyl)-1-oxopentyl]amino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[5-(4-amidinophenyl)pentanoylamino]-3-(2-thienyl)propionic acid Formula: C19H23N3O3S MolecularWeight: 373.46922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(CC(=O)O)NC(=O)CCCCC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

C1=CSC(=C1)C(CC(=O)O)NC(=O)CCCCC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C19H23N3O3S/c20-19(21)14-9-7-13(8-10-14)4-1-2-6-17(23)22-15(12-18(24)25)16-5-3-11-26-16/h3,5,7-11,15H,1-2,4,6,12H2,(H3,20,21)(H,22,23)(H,24,25)