2-[(1-aminocarbonylcyclobutyl)carbonyl-(4-carbamimidoylphenyl)amino]-2-pyridin-3-yl-propanoic acid

Systemtic Name: 2-[(1-aminocarbonylcyclobutyl)carbonyl-(4-carbamimidoylphenyl)amino]-2-pyridin-3-yl-propanoic acid Openeye Name: 2-(4-carbamimidoyl-N-(1-carbamoylcyclobutanecarbonyl)anilino)-2-(3-pyridyl)propanoic acid CAS Name: 2-(4-carbamimidoyl-N-[(1-carbamoylcyclobutyl)-oxomethyl]anilino)-2-(3-pyridinyl)propanoic acid IUPAC Name: 2-(4-carbamimidoyl-N-(1-carbamoylcyclobutanecarbonyl)anilino)-2-pyridin-3-ylpropanoic acid Traditional Name: 2-(4-amidino-N-(1-carbamoylcyclobutanecarbonyl)anilino)-2-(3-pyridyl)propionic acid Formula: C21H23N5O4 MolecularWeight: 409.43842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CN=CC=C1)(C(=O)O)N(C2=CC=C(C=C2)C(=N)N)C(=O)C3(CCC3)C(=O)N

Isomeric SMILES

CC(C1=CN=CC=C1)(C(=O)O)N(C2=CC=C(C=C2)C(=N)N)C(=O)C3(CCC3)C(=O)N

InChI

InChI=1S/C21H23N5O4/c1-20(19(29)30,14-4-2-11-25-12-14)26(15-7-5-13(6-8-15)16(22)23)18(28)21(17(24)27)9-3-10-21/h2,4-8,11-12H,3,9-10H2,1H3,(H3,22,23)(H2,24,27)(H,29,30)