methyl 2-[[3-(3-carbamimidoylphenyl)-5-(4-carbamimidoylphenyl)pentanoyl]amino]ethanoate

Systemtic Name: methyl 2-[[3-(3-carbamimidoylphenyl)-5-(4-carbamimidoylphenyl)pentanoyl]amino]ethanoate Openeye Name: methyl 2-[[3-(3-carbamimidoylphenyl)-5-(4-carbamimidoylphenyl)pentanoyl]amino]acetate CAS Name: 2-[[3-(3-carbamimidoylphenyl)-5-(4-carbamimidoylphenyl)-1-oxopentyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[3-(3-carbamimidoylphenyl)-5-(4-carbamimidoylphenyl)pentanoyl]amino]acetate Traditional Name: 2-[[3-(3-amidinophenyl)-5-(4-amidinophenyl)pentanoyl]amino]acetic acid methyl ester Formula: C22H27N5O3 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)CC(CCC1=CC=C(C=C1)C(=N)N)C2=CC=CC(=C2)C(=N)N

Isomeric SMILES

COC(=O)CNC(=O)CC(CCC1=CC=C(C=C1)C(=N)N)C2=CC=CC(=C2)C(=N)N

InChI

InChI=1S/C22H27N5O3/c1-30-20(29)13-27-19(28)12-17(16-3-2-4-18(11-16)22(25)26)10-7-14-5-8-15(9-6-14)21(23)24/h2-6,8-9,11,17H,7,10,12-13H2,1H3,(H3,23,24)(H3,25,26)(H,27,28)