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

Systemtic Name: propan-2-yl 3-(2-nitrophenyl)-3-[4-(thiophen-3-ylcarbonylamino)butanoylamino]propanoate Openeye Name: isopropyl 3-(2-nitrophenyl)-3-[4-(thiophene-3-carbonylamino)butanoylamino]propanoate CAS Name: 3-(2-nitrophenyl)-3-[[1-oxo-4-[[oxo(3-thiophenyl)methyl]amino]butyl]amino]propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-(2-nitrophenyl)-3-[4-(thiophene-3-carbonylamino)butanoylamino]propanoate Traditional Name: 3-(2-nitrophenyl)-3-[4-(3-thenoylamino)butanoylamino]propionic acid isopropyl ester Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC(C1=CC=CC=C1[N+](=O)[O-])NC(=O)CCCNC(=O)C2=CSC=C2

Isomeric SMILES

CC(C)OC(=O)CC(C1=CC=CC=C1[N+](=O)[O-])NC(=O)CCCNC(=O)C2=CSC=C2

InChI

InChI=1S/C21H25N3O6S/c1-14(2)30-20(26)12-17(16-6-3-4-7-18(16)24(28)29)23-19(25)8-5-10-22-21(27)15-9-11-31-13-15/h3-4,6-7,9,11,13-14,17H,5,8,10,12H2,1-2H3,(H,22,27)(H,23,25)