ethyl 5-(3-carbamimidoylphenoxy)-2-[(4-carbamimidoylphenyl)carbonylamino]pentanoate

Systemtic Name: ethyl 5-(3-carbamimidoylphenoxy)-2-[(4-carbamimidoylphenyl)carbonylamino]pentanoate Openeye Name: ethyl 2-[(4-carbamimidoylbenzoyl)amino]-5-(3-carbamimidoylphenoxy)pentanoate CAS Name: 5-(3-carbamimidoylphenoxy)-2-[[(4-carbamimidoylphenyl)-oxomethyl]amino]pentanoic acid ethyl ester IUPAC Name: ethyl 2-[(4-carbamimidoylbenzoyl)amino]-5-(3-carbamimidoylphenoxy)pentanoate Traditional Name: 2-[(4-amidinobenzoyl)amino]-5-(3-amidinophenoxy)valeric acid ethyl ester Formula: C22H27N5O4 MolecularWeight: 425.48088

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCOC1=CC=CC(=C1)C(=N)N)NC(=O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CCOC(=O)C(CCCOC1=CC=CC(=C1)C(=N)N)NC(=O)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C22H27N5O4/c1-2-30-22(29)18(27-21(28)15-10-8-14(9-11-15)19(23)24)7-4-12-31-17-6-3-5-16(13-17)20(25)26/h3,5-6,8-11,13,18H,2,4,7,12H2,1H3,(H3,23,24)(H3,25,26)(H,27,28)