3-[[4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-butanoyl]amino]-3-(6-ethoxypyridin-3-yl)propanoic acid

Systemtic Name: 3-[[4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-butanoyl]amino]-3-(6-ethoxypyridin-3-yl)propanoic acid Openeye Name: 3-[[4-(4-carbamimidoylanilino)-4-oxo-butanoyl]amino]-3-(6-ethoxy-3-pyridyl)propanoic acid CAS Name: 3-[[4-(4-carbamimidoylanilino)-1,4-dioxobutyl]amino]-3-(6-ethoxy-3-pyridinyl)propanoic acid IUPAC Name: 3-[[4-(4-carbamimidoylanilino)-4-oxobutanoyl]amino]-3-(6-ethoxypyridin-3-yl)propanoic acid Traditional Name: 3-[[4-(4-amidinoanilino)-4-keto-butanoyl]amino]-3-(6-ethoxy-3-pyridyl)propionic acid Formula: C21H25N5O5 MolecularWeight: 427.4537

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC=C(C=C1)C(CC(=O)O)NC(=O)CCC(=O)NC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CCOC1=NC=C(C=C1)C(CC(=O)O)NC(=O)CCC(=O)NC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C21H25N5O5/c1-2-31-19-10-5-14(12-24-19)16(11-20(29)30)26-18(28)9-8-17(27)25-15-6-3-13(4-7-15)21(22)23/h3-7,10,12,16H,2,8-9,11H2,1H3,(H3,22,23)(H,25,27)(H,26,28)(H,29,30)