4-azanyl-2-[2-azanylethanoyl(phenyl)amino]-2-(3-carbamimidoylphenyl)carbonyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[2-azanylethanoyl(phenyl)amino]-2-(3-carbamimidoylphenyl)carbonyl-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-(N-(2-aminoacetyl)anilino)-2-(3-carbamimidoylbenzoyl)-4-oxo-butanoic acid CAS Name: 4-amino-2-(N-(2-amino-1-oxoethyl)anilino)-2-[(3-carbamimidoylphenyl)-oxomethyl]-4-oxobutanoic acid IUPAC Name: 4-amino-2-(N-(2-aminoacetyl)anilino)-2-(3-carbamimidoylbenzoyl)-4-oxobutanoic acid Traditional Name: 2-(3-amidinobenzoyl)-4-amino-2-(N-glycylanilino)-4-keto-butyric acid Formula: C20H21N5O5 MolecularWeight: 411.41124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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