3-[5-(4-carbamimidoylphenyl)pentanoylamino]-5-(phenylmethyl)sulfonyl-pentanoic acid

Systemtic Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-5-(phenylmethyl)sulfonyl-pentanoic acid Openeye Name: 5-benzylsulfonyl-3-[5-(4-carbamimidoylphenyl)pentanoylamino]pentanoic acid CAS Name: 3-[[5-(4-carbamimidoylphenyl)-1-oxopentyl]amino]-5-(phenylmethyl)sulfonylpentanoic acid IUPAC Name: 5-benzylsulfonyl-3-[5-(4-carbamimidoylphenyl)pentanoylamino]pentanoic acid Traditional Name: 3-[5-(4-amidinophenyl)pentanoylamino]-5-benzylsulfonyl-valeric acid Formula: C24H31N3O5S MolecularWeight: 473.58504

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)CCC(CC(=O)O)NC(=O)CCCCC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)CCC(CC(=O)O)NC(=O)CCCCC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C24H31N3O5S/c25-24(26)20-12-10-18(11-13-20)6-4-5-9-22(28)27-21(16-23(29)30)14-15-33(31,32)17-19-7-2-1-3-8-19/h1-3,7-8,10-13,21H,4-6,9,14-17H2,(H3,25,26)(H,27,28)(H,29,30)