4-[2-azanyl-3-(4-carbamimidoylphenyl)phenyl]butanoyl 4-azanyl-4-oxidanylidene-butanoate

Systemtic Name: 4-[2-azanyl-3-(4-carbamimidoylphenyl)phenyl]butanoyl 4-azanyl-4-oxidanylidene-butanoate Openeye Name: 4-[2-amino-3-(4-carbamimidoylphenyl)phenyl]butanoyl 4-amino-4-oxo-butanoate CAS Name: 4-amino-4-oxobutanoic acid [4-[2-amino-3-(4-carbamimidoylphenyl)phenyl]-1-oxobutyl] ester IUPAC Name: 4-[2-amino-3-(4-carbamimidoylphenyl)phenyl]butanoyl 4-amino-4-oxobutanoate Traditional Name: 4-amino-4-keto-butyric acid 4-[3-(4-amidinophenyl)-2-amino-phenyl]butanoyl ester Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)CCCC(=O)OC(=O)CCC(=O)N)N)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

C1=CC(=C(C(=C1)CCCC(=O)OC(=O)CCC(=O)N)N)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C21H24N4O4/c22-17(26)11-12-19(28)29-18(27)6-2-4-14-3-1-5-16(20(14)23)13-7-9-15(10-8-13)21(24)25/h1,3,5,7-10H,2,4,6,11-12,23H2,(H2,22,26)(H3,24,25)