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

Systemtic Name: 2-[(1-aminocarbonylcyclobutyl)carbonyl-(4-carbamimidoylphenyl)amino]-3-thiophen-3-yl-propanoic acid Openeye Name: 2-(4-carbamimidoyl-N-(1-carbamoylcyclobutanecarbonyl)anilino)-3-(3-thienyl)propanoic acid CAS Name: 2-(4-carbamimidoyl-N-[(1-carbamoylcyclobutyl)-oxomethyl]anilino)-3-(3-thiophenyl)propanoic acid IUPAC Name: 2-(4-carbamimidoyl-N-(1-carbamoylcyclobutanecarbonyl)anilino)-3-thiophen-3-ylpropanoic acid Traditional Name: 2-(4-amidino-N-(1-carbamoylcyclobutanecarbonyl)anilino)-3-(3-thienyl)propionic acid Formula: C20H22N4O4S MolecularWeight: 414.47808

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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=CSC=C3)C(=O)O

Isomeric SMILES

C1CC(C1)(C(=O)N)C(=O)N(C2=CC=C(C=C2)C(=N)N)C(CC3=CSC=C3)C(=O)O

InChI

InChI=1S/C20H22N4O4S/c21-16(22)13-2-4-14(5-3-13)24(19(28)20(18(23)27)7-1-8-20)15(17(25)26)10-12-6-9-29-11-12/h2-6,9,11,15H,1,7-8,10H2,(H3,21,22)(H2,23,27)(H,25,26)