3-(phenethylcarbamoylamino)-3-phenyl-5-sulfanyl-pentanoic acid

Systemtic Name: 3-(phenethylcarbamoylamino)-3-phenyl-5-sulfanyl-pentanoic acid Openeye Name: 3-(phenethylcarbamoylamino)-3-phenyl-5-sulfanyl-pentanoic acid CAS Name: 5-mercapto-3-[[oxo-(phenethylamino)methyl]amino]-3-phenylpentanoic acid IUPAC Name: 3-(phenethylcarbamoylamino)-3-phenyl-5-sulfanylpentanoic acid Traditional Name: 5-mercapto-3-(phenethylcarbamoylamino)-3-phenyl-valeric acid Formula: C20H24N2O3S MolecularWeight: 372.48116

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)NC(CCS)(CC(=O)O)C2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)NC(CCS)(CC(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C20H24N2O3S/c23-18(24)15-20(12-14-26,17-9-5-2-6-10-17)22-19(25)21-13-11-16-7-3-1-4-8-16/h1-10,26H,11-15H2,(H,23,24)(H2,21,22,25)