4-[3-[2-[(2-aminophenyl)carbonyl-carbamimidoyl-amino]ethanoyl]-2-azanyl-phenyl]carbonyloxy-2-azanyl-butanoic acid

Systemtic Name: 4-[3-[2-[(2-aminophenyl)carbonyl-carbamimidoyl-amino]ethanoyl]-2-azanyl-phenyl]carbonyloxy-2-azanyl-butanoic acid Openeye Name: 2-amino-4-[2-amino-3-[2-[(2-aminobenzoyl)-carbamimidoyl-amino]acetyl]benzoyl]oxy-butanoic acid CAS Name: 2-amino-4-[[2-amino-3-[2-[[(2-aminophenyl)-oxomethyl]-carbamimidoylamino]-1-oxoethyl]phenyl]-oxomethoxy]butanoic acid IUPAC Name: 2-amino-4-[2-amino-3-[2-[(2-aminobenzoyl)-carbamimidoylamino]acetyl]benzoyl]oxybutanoic acid Traditional Name: 4-[3-[2-[amidino(anthraniloyl)amino]acetyl]-2-amino-benzoyl]oxy-2-amino-butyric acid Formula: C21H24N6O6 MolecularWeight: 456.45186

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)N(CC(=O)C2=C(C(=CC=C2)C(=O)OCCC(C(=O)O)N)N)C(=N)N)N

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)N(CC(=O)C2=C(C(=CC=C2)C(=O)OCCC(C(=O)O)N)N)C(=N)N)N

InChI

InChI=1S/C21H24N6O6/c22-14-7-2-1-4-11(14)18(29)27(21(25)26)10-16(28)12-5-3-6-13(17(12)24)20(32)33-9-8-15(23)19(30)31/h1-7,15H,8-10,22-24H2,(H3,25,26)(H,30,31)