2-[[1-[[2-[(4-carbamimidoylphenyl)carbamoyl]cyclobutyl]carbonylamino]pyrrol-2-yl]methyl]butanoate

Systemtic Name: 2-[[1-[[2-[(4-carbamimidoylphenyl)carbamoyl]cyclobutyl]carbonylamino]pyrrol-2-yl]methyl]butanoate Openeye Name: 2-[[1-[[2-[(4-carbamimidoylphenyl)carbamoyl]cyclobutanecarbonyl]amino]pyrrol-2-yl]methyl]butanoate CAS Name: 2-[[1-[[[2-[(4-carbamimidoylanilino)-oxomethyl]cyclobutyl]-oxomethyl]amino]-2-pyrrolyl]methyl]butanoate IUPAC Name: 2-[[1-[[2-[(4-carbamimidoylphenyl)carbamoyl]cyclobutanecarbonyl]amino]pyrrol-2-yl]methyl]butanoate Traditional Name: 2-[[1-[[2-[(4-amidinophenyl)carbamoyl]cyclobutanecarbonyl]amino]pyrrol-2-yl]methyl]butyrate Formula: C22H26N5O4- MolecularWeight: 424.47294

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=CN1NC(=O)C2CCC2C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)[O-]

Isomeric SMILES

CCC(CC1=CC=CN1NC(=O)C2CCC2C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)[O-]

InChI

InChI=1S/C22H27N5O4/c1-2-13(22(30)31)12-16-4-3-11-27(16)26-21(29)18-10-9-17(18)20(28)25-15-7-5-14(6-8-15)19(23)24/h3-8,11,13,17-18H,2,9-10,12H2,1H3,(H3,23,24)(H,25,28)(H,26,29)(H,30,31)/p-1