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

Systemtic Name: 2-[(1-aminocarbonylcyclopropyl)carbonyl-(4-carbamimidoylphenyl)amino]-3-(1H-pyrrol-3-yl)propanoic acid Openeye Name: 2-(4-carbamimidoyl-N-(1-carbamoylcyclopropanecarbonyl)anilino)-3-(1H-pyrrol-3-yl)propanoic acid CAS Name: 2-(4-carbamimidoyl-N-[(1-carbamoylcyclopropyl)-oxomethyl]anilino)-3-(1H-pyrrol-3-yl)propanoic acid IUPAC Name: 2-(4-carbamimidoyl-N-(1-carbamoylcyclopropanecarbonyl)anilino)-3-(1H-pyrrol-3-yl)propanoic acid Traditional Name: 2-(4-amidino-N-(1-carbamoylcyclopropanecarbonyl)anilino)-3-(1H-pyrrol-3-yl)propionic acid Formula: C19H21N5O4 MolecularWeight: 383.40114

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1(C(=O)N)C(=O)N(C2=CC=C(C=C2)C(=N)N)C(CC3=CNC=C3)C(=O)O

Isomeric SMILES

C1CC1(C(=O)N)C(=O)N(C2=CC=C(C=C2)C(=N)N)C(CC3=CNC=C3)C(=O)O

InChI

InChI=1S/C19H21N5O4/c20-15(21)12-1-3-13(4-2-12)24(18(28)19(6-7-19)17(22)27)14(16(25)26)9-11-5-8-23-10-11/h1-5,8,10,14,23H,6-7,9H2,(H3,20,21)(H2,22,27)(H,25,26)