3-[4-carbamimidoyl-2-[3-[(4-carbamimidoylphenyl)amino]-3-oxidanylidene-propoxy]phenyl]-2-oxidanylidene-propanoic acid

Systemtic Name: 3-[4-carbamimidoyl-2-[3-[(4-carbamimidoylphenyl)amino]-3-oxidanylidene-propoxy]phenyl]-2-oxidanylidene-propanoic acid Openeye Name: 3-[4-carbamimidoyl-2-[3-(4-carbamimidoylanilino)-3-oxo-propoxy]phenyl]-2-oxo-propanoic acid CAS Name: 3-[4-carbamimidoyl-2-[3-(4-carbamimidoylanilino)-3-oxopropoxy]phenyl]-2-oxopropanoic acid IUPAC Name: 3-[4-carbamimidoyl-2-[3-(4-carbamimidoylanilino)-3-oxopropoxy]phenyl]-2-oxopropanoic acid Traditional Name: 3-[4-amidino-2-[3-(4-amidinoanilino)-3-keto-propoxy]phenyl]-2-keto-propionic acid Formula: C20H21N5O5 MolecularWeight: 411.41124

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=N)N)NC(=O)CCOC2=C(C=CC(=C2)C(=N)N)CC(=O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=N)N)NC(=O)CCOC2=C(C=CC(=C2)C(=N)N)CC(=O)C(=O)O

InChI

InChI=1S/C20H21N5O5/c21-18(22)11-3-5-14(6-4-11)25-17(27)7-8-30-16-10-13(19(23)24)2-1-12(16)9-15(26)20(28)29/h1-6,10H,7-9H2,(H3,21,22)(H3,23,24)(H,25,27)(H,28,29)