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

Systemtic Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-5-methylsulfanyl-pentanoic acid Openeye Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-5-methylsulfanyl-pentanoic acid CAS Name: 3-[[5-(4-carbamimidoylphenyl)-1-oxopentyl]amino]-5-(methylthio)pentanoic acid IUPAC Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-5-methylsulfanylpentanoic acid Traditional Name: 3-[5-(4-amidinophenyl)pentanoylamino]-5-(methylthio)valeric acid Formula: C18H27N3O3S MolecularWeight: 365.49028

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(CC(=O)O)NC(=O)CCCCC1=CC=C(C=C1)C(=N)N

Isomeric SMILES

CSCCC(CC(=O)O)NC(=O)CCCCC1=CC=C(C=C1)C(=N)N

InChI

InChI=1S/C18H27N3O3S/c1-25-11-10-15(12-17(23)24)21-16(22)5-3-2-4-13-6-8-14(9-7-13)18(19)20/h6-9,15H,2-5,10-12H2,1H3,(H3,19,20)(H,21,22)(H,23,24)