3-[5-(4-carbamimidoylphenyl)pentanoylamino]-7-phenyl-heptanoate

Systemtic Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-7-phenyl-heptanoate Openeye Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-7-phenyl-heptanoate CAS Name: 3-[[5-(4-carbamimidoylphenyl)-1-oxopentyl]amino]-7-phenylheptanoate IUPAC Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-7-phenylheptanoate Traditional Name: 3-[5-(4-amidinophenyl)pentanoylamino]-7-phenyl-enanthate Formula: C25H32N3O3- MolecularWeight: 422.53988

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCC(CC(=O)[O-])NC(=O)CCCCC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)CCCCC(CC(=O)[O-])NC(=O)CCCCC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C25H33N3O3/c26-25(27)21-16-14-20(15-17-21)11-5-7-13-23(29)28-22(18-24(30)31)12-6-4-10-19-8-2-1-3-9-19/h1-3,8-9,14-17,22H,4-7,10-13,18H2,(H3,26,27)(H,28,29)(H,30,31)/p-1