4-(3-carbamimidoylphenoxy)-3-[(4-carbamimidoylphenyl)carbonylamino]butanoate

Systemtic Name: 4-(3-carbamimidoylphenoxy)-3-[(4-carbamimidoylphenyl)carbonylamino]butanoate Openeye Name: 3-[(4-carbamimidoylbenzoyl)amino]-4-(3-carbamimidoylphenoxy)butanoate CAS Name: 4-(3-carbamimidoylphenoxy)-3-[[(4-carbamimidoylphenyl)-oxomethyl]amino]butanoate IUPAC Name: 3-[(4-carbamimidoylbenzoyl)amino]-4-(3-carbamimidoylphenoxy)butanoate Traditional Name: 3-[(4-amidinobenzoyl)amino]-4-(3-amidinophenoxy)butyrate Formula: C19H20N5O4- MolecularWeight: 382.3932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N5O4/c20-17(21)11-4-6-12(7-5-11)19(27)24-14(9-16(25)26)10-28-15-3-1-2-13(8-15)18(22)23/h1-8,14H,9-10H2,(H3,20,21)(H3,22,23)(H,24,27)(H,25,26)/p-1