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

Systemtic Name: 2-[(1-aminocarbonylcyclobutyl)carbonyl-(4-carbamimidoylphenyl)amino]-3-(1H-pyrrol-2-yl)propanoic acid Openeye Name: 2-(4-carbamimidoyl-N-(1-carbamoylcyclobutanecarbonyl)anilino)-3-(1H-pyrrol-2-yl)propanoic acid CAS Name: 2-(4-carbamimidoyl-N-[(1-carbamoylcyclobutyl)-oxomethyl]anilino)-3-(1H-pyrrol-2-yl)propanoic acid IUPAC Name: 2-(4-carbamimidoyl-N-(1-carbamoylcyclobutanecarbonyl)anilino)-3-(1H-pyrrol-2-yl)propanoic acid Traditional Name: 2-(4-amidino-N-(1-carbamoylcyclobutanecarbonyl)anilino)-3-(1H-pyrrol-2-yl)propionic acid Formula: C20H23N5O4 MolecularWeight: 397.42772

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)(C(=O)N)C(=O)N(C2=CC=C(C=C2)C(=N)N)C(CC3=CC=CN3)C(=O)O

Isomeric SMILES

C1CC(C1)(C(=O)N)C(=O)N(C2=CC=C(C=C2)C(=N)N)C(CC3=CC=CN3)C(=O)O

InChI

InChI=1S/C20H23N5O4/c21-16(22)12-4-6-14(7-5-12)25(19(29)20(18(23)28)8-2-9-20)15(17(26)27)11-13-3-1-10-24-13/h1,3-7,10,15,24H,2,8-9,11H2,(H3,21,22)(H2,23,28)(H,26,27)