ethyl 3-[2-[[4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-butanoyl]amino]pyridin-3-yl]propanoate

Systemtic Name: ethyl 3-[2-[[4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-butanoyl]amino]pyridin-3-yl]propanoate Openeye Name: ethyl 3-[2-[[4-(4-carbamimidoylanilino)-4-oxo-butanoyl]amino]-3-pyridyl]propanoate CAS Name: 3-[2-[[4-(4-carbamimidoylanilino)-1,4-dioxobutyl]amino]-3-pyridinyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-[[4-(4-carbamimidoylanilino)-4-oxobutanoyl]amino]pyridin-3-yl]propanoate Traditional Name: 3-[2-[[4-(4-amidinoanilino)-4-keto-butanoyl]amino]-3-pyridyl]propionic acid ethyl ester Formula: C21H25N5O4 MolecularWeight: 411.4543

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=C(N=CC=C1)NC(=O)CCC(=O)NC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CCOC(=O)CCC1=C(N=CC=C1)NC(=O)CCC(=O)NC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C21H25N5O4/c1-2-30-19(29)12-7-15-4-3-13-24-21(15)26-18(28)11-10-17(27)25-16-8-5-14(6-9-16)20(22)23/h3-6,8-9,13H,2,7,10-12H2,1H3,(H3,22,23)(H,25,27)(H,24,26,28)