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

Systemtic Name: 2-[(1-aminocarbonylcyclopropyl)carbonyl-(4-carbamimidoylphenyl)amino]-3-(1,3-thiazol-2-yl)propanoic acid Openeye Name: 2-(4-carbamimidoyl-N-(1-carbamoylcyclopropanecarbonyl)anilino)-3-thiazol-2-yl-propanoic acid CAS Name: 2-(4-carbamimidoyl-N-[(1-carbamoylcyclopropyl)-oxomethyl]anilino)-3-(2-thiazolyl)propanoic acid IUPAC Name: 2-(4-carbamimidoyl-N-(1-carbamoylcyclopropanecarbonyl)anilino)-3-(1,3-thiazol-2-yl)propanoic acid Traditional Name: 2-(4-amidino-N-(1-carbamoylcyclopropanecarbonyl)anilino)-3-thiazol-2-yl-propionic acid Formula: C18H19N5O4S MolecularWeight: 401.43956

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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=NC=CS3)C(=O)O

Isomeric SMILES

C1CC1(C(=O)N)C(=O)N(C2=CC=C(C=C2)C(=N)N)C(CC3=NC=CS3)C(=O)O

InChI

InChI=1S/C18H19N5O4S/c19-14(20)10-1-3-11(4-2-10)23(17(27)18(5-6-18)16(21)26)12(15(24)25)9-13-22-7-8-28-13/h1-4,7-8,12H,5-6,9H2,(H3,19,20)(H2,21,26)(H,24,25)