propan-2-yl 3-(4-methylphenyl)-3-[4-(thiophen-2-ylcarbonylamino)butanoylamino]propanoate

Systemtic Name: propan-2-yl 3-(4-methylphenyl)-3-[4-(thiophen-2-ylcarbonylamino)butanoylamino]propanoate Openeye Name: isopropyl 3-(p-tolyl)-3-[4-(thiophene-2-carbonylamino)butanoylamino]propanoate CAS Name: 3-(4-methylphenyl)-3-[[1-oxo-4-[[oxo(thiophen-2-yl)methyl]amino]butyl]amino]propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-(4-methylphenyl)-3-[4-(thiophene-2-carbonylamino)butanoylamino]propanoate Traditional Name: 3-(p-tolyl)-3-[4-(2-thenoylamino)butanoylamino]propionic acid isopropyl ester Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)OC(C)C)NC(=O)CCCNC(=O)C2=CC=CS2

Isomeric SMILES

CC1=CC=C(C=C1)C(CC(=O)OC(C)C)NC(=O)CCCNC(=O)C2=CC=CS2

InChI

InChI=1S/C22H28N2O4S/c1-15(2)28-21(26)14-18(17-10-8-16(3)9-11-17)24-20(25)7-4-12-23-22(27)19-6-5-13-29-19/h5-6,8-11,13,15,18H,4,7,12,14H2,1-3H3,(H,23,27)(H,24,25)