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

Systemtic Name: [3-[[4-[(4-carbamimidoylphenyl)-phenyl-amino]-4-oxidanylidene-butanoyl]amino]-4-ethyl-pyridin-2-yl] propanoate Openeye Name: [3-[[4-(N-(4-carbamimidoylphenyl)anilino)-4-oxo-butanoyl]amino]-4-ethyl-2-pyridyl] propanoate CAS Name: propanoic acid [3-[[4-(N-(4-carbamimidoylphenyl)anilino)-1,4-dioxobutyl]amino]-4-ethyl-2-pyridinyl] ester IUPAC Name: [3-[[4-(N-(4-carbamimidoylphenyl)anilino)-4-oxobutanoyl]amino]-4-ethylpyridin-2-yl] propanoate Traditional Name: propionic acid [3-[[4-(N-(4-amidinophenyl)anilino)-4-keto-butanoyl]amino]-4-ethyl-2-pyridyl] ester Formula: C27H29N5O4 MolecularWeight: 487.55026

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC=C1)OC(=O)CC)NC(=O)CCC(=O)N(C2=CC=CC=C2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCC1=C(C(=NC=C1)OC(=O)CC)NC(=O)CCC(=O)N(C2=CC=CC=C2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C27H29N5O4/c1-3-18-16-17-30-27(36-24(35)4-2)25(18)31-22(33)14-15-23(34)32(20-8-6-5-7-9-20)21-12-10-19(11-13-21)26(28)29/h5-13,16-17H,3-4,14-15H2,1-2H3,(H3,28,29)(H,31,33)