5-oxidanyl-3-(phenethylcarbamoylamino)-3-thiophen-2-yl-pentanoic acid

Systemtic Name: 5-oxidanyl-3-(phenethylcarbamoylamino)-3-thiophen-2-yl-pentanoic acid Openeye Name: 5-hydroxy-3-(phenethylcarbamoylamino)-3-(2-thienyl)pentanoic acid CAS Name: 5-hydroxy-3-[[oxo-(phenethylamino)methyl]amino]-3-thiophen-2-ylpentanoic acid IUPAC Name: 5-hydroxy-3-(phenethylcarbamoylamino)-3-thiophen-2-ylpentanoic acid Traditional Name: 5-hydroxy-3-(phenethylcarbamoylamino)-3-(2-thienyl)valeric acid Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)NC(CCO)(CC(=O)O)C2=CC=CS2

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)NC(CCO)(CC(=O)O)C2=CC=CS2

InChI

InChI=1S/C18H22N2O4S/c21-11-9-18(13-16(22)23,15-7-4-12-25-15)20-17(24)19-10-8-14-5-2-1-3-6-14/h1-7,12,21H,8-11,13H2,(H,22,23)(H2,19,20,24)