3-[5-[[4-(5-carbamimidoyl-1,3-thiazol-2-yl)phenoxy]methyl]-2-oxidanylidene-pyrrolidin-3-yl]propanoic acid

Systemtic Name: 3-[5-[[4-(5-carbamimidoyl-1,3-thiazol-2-yl)phenoxy]methyl]-2-oxidanylidene-pyrrolidin-3-yl]propanoic acid Openeye Name: 3-[5-[[4-(5-carbamimidoylthiazol-2-yl)phenoxy]methyl]-2-oxo-pyrrolidin-3-yl]propanoic acid CAS Name: 3-[5-[[4-(5-carbamimidoyl-2-thiazolyl)phenoxy]methyl]-2-oxo-3-pyrrolidinyl]propanoic acid IUPAC Name: 3-[5-[[4-(5-carbamimidoyl-1,3-thiazol-2-yl)phenoxy]methyl]-2-oxopyrrolidin-3-yl]propanoic acid Traditional Name: 3-[5-[[4-(5-amidinothiazol-2-yl)phenoxy]methyl]-2-keto-pyrrolidin-3-yl]propionic acid Formula: C18H20N4O4S MolecularWeight: 388.4408

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)NC1COC2=CC=C(C=C2)C3=NC=C(S3)C(=N)N)CCC(=O)O

Isomeric SMILES

C1C(C(=O)NC1COC2=CC=C(C=C2)C3=NC=C(S3)C(=N)N)CCC(=O)O

InChI

InChI=1S/C18H20N4O4S/c19-16(20)14-8-21-18(27-14)10-1-4-13(5-2-10)26-9-12-7-11(17(25)22-12)3-6-15(23)24/h1-2,4-5,8,11-12H,3,6-7,9H2,(H3,19,20)(H,22,25)(H,23,24)