propan-2-yl (3S)-3-(2-chlorophenyl)-3-[3-(4-ethanoyl-5-methyl-furan-2-yl)propanoylamino]propanoate

Systemtic Name: propan-2-yl (3S)-3-(2-chlorophenyl)-3-[3-(4-ethanoyl-5-methyl-furan-2-yl)propanoylamino]propanoate Openeye Name: isopropyl (3S)-3-[3-(4-acetyl-5-methyl-2-furyl)propanoylamino]-3-(2-chlorophenyl)propanoate CAS Name: (3S)-3-[[3-(4-acetyl-5-methyl-2-furanyl)-1-oxopropyl]amino]-3-(2-chlorophenyl)propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl (3S)-3-[3-(4-acetyl-5-methylfuran-2-yl)propanoylamino]-3-(2-chlorophenyl)propanoate Traditional Name: (3S)-3-[3-(4-acetyl-5-methyl-2-furyl)propanoylamino]-3-(2-chlorophenyl)propionic acid isopropyl ester Formula: C22H26ClNO5 MolecularWeight: 419.89854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CCC(=O)NC(CC(=O)OC(C)C)C2=CC=CC=C2Cl)C(=O)C

Isomeric SMILES

CC1=C(C=C(O1)CCC(=O)N[C@@H](CC(=O)OC(C)C)C2=CC=CC=C2Cl)C(=O)C

InChI

InChI=1S/C22H26ClNO5/c1-13(2)28-22(27)12-20(17-7-5-6-8-19(17)23)24-21(26)10-9-16-11-18(14(3)25)15(4)29-16/h5-8,11,13,20H,9-10,12H2,1-4H3,(H,24,26)/t20-/m0/s1