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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC1=CN=CC=C1)N(C2=CC=C(C=C2)C(=N)N)C(=O)C3(CCC3)C(=O)N

Isomeric SMILES

CC(C(=O)OC1=CN=CC=C1)N(C2=CC=C(C=C2)C(=N)N)C(=O)C3(CCC3)C(=O)N

InChI

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