4-[2-[5-(4-carbamimidoylphenyl)pentanoylamino]-1-benzothiophen-3-yl]butanoic acid

Systemtic Name: 4-[2-[5-(4-carbamimidoylphenyl)pentanoylamino]-1-benzothiophen-3-yl]butanoic acid Openeye Name: 4-[2-[5-(4-carbamimidoylphenyl)pentanoylamino]benzothiophen-3-yl]butanoic acid CAS Name: 4-[2-[[5-(4-carbamimidoylphenyl)-1-oxopentyl]amino]-1-benzothiophen-3-yl]butanoic acid IUPAC Name: 4-[2-[5-(4-carbamimidoylphenyl)pentanoylamino]-1-benzothiophen-3-yl]butanoic acid Traditional Name: 4-[2-[5-(4-amidinophenyl)pentanoylamino]benzothiophen-3-yl]butyric acid Formula: C24H27N3O3S MolecularWeight: 437.55448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)NC(=O)CCCCC3=CC=C(C=C3)C(=N)N)CCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)NC(=O)CCCCC3=CC=C(C=C3)C(=N)N)CCCC(=O)O

InChI

InChI=1S/C24H27N3O3S/c25-23(26)17-14-12-16(13-15-17)6-1-4-10-21(28)27-24-19(8-5-11-22(29)30)18-7-2-3-9-20(18)31-24/h2-3,7,9,12-15H,1,4-6,8,10-11H2,(H3,25,26)(H,27,28)(H,29,30)