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

Systemtic Name: 4-azanyl-2-[2-azanylethanoyl(phenyl)amino]-2-(3-carbamimidoylphenyl)carbonyl-4-oxidanylidene-butanoic acid; 2-azanylbutanediamide Openeye Name: 4-amino-2-(N-(2-aminoacetyl)anilino)-2-(3-carbamimidoylbenzoyl)-4-oxo-butanoic acid; 2-aminobutanediamide CAS Name: 4-amino-2-(N-(2-amino-1-oxoethyl)anilino)-2-[(3-carbamimidoylphenyl)-oxomethyl]-4-oxobutanoic acid; 2-aminobutanediamide IUPAC Name: 4-amino-2-(N-(2-aminoacetyl)anilino)-2-(3-carbamimidoylbenzoyl)-4-oxobutanoic acid; 2-aminobutanediamide Traditional Name: 2-(3-amidinobenzoyl)-4-amino-2-(N-glycylanilino)-4-keto-butyric acid; 2-aminosuccinamide Formula: C24H30N8O7 MolecularWeight: 542.5444

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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.C(C(C(=O)N)N)C(=O)N

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.C(C(C(=O)N)N)C(=O)N

InChI

InChI=1S/C20H21N5O5.C4H9N3O2/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;5-2(4(7)9)1-3(6)8/h1-9H,10-11,21H2,(H2,22,26)(H3,23,24)(H,29,30);2H,1,5H2,(H2,6,8)(H2,7,9)