methyl (2S)-3-phenyl-2-[4-(thiophen-3-ylcarbonylamino)butanoylamino]propanoate

Systemtic Name: methyl (2S)-3-phenyl-2-[4-(thiophen-3-ylcarbonylamino)butanoylamino]propanoate Openeye Name: methyl (2S)-3-phenyl-2-[4-(thiophene-3-carbonylamino)butanoylamino]propanoate CAS Name: (2S)-2-[[1-oxo-4-[[oxo(3-thiophenyl)methyl]amino]butyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-3-phenyl-2-[4-(thiophene-3-carbonylamino)butanoylamino]propanoate Traditional Name: (2S)-3-phenyl-2-[4-(3-thenoylamino)butanoylamino]propionic acid methyl ester Formula: C19H22N2O4S MolecularWeight: 374.45398

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)CCCNC(=O)C2=CSC=C2

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CCCNC(=O)C2=CSC=C2

InChI

InChI=1S/C19H22N2O4S/c1-25-19(24)16(12-14-6-3-2-4-7-14)21-17(22)8-5-10-20-18(23)15-9-11-26-13-15/h2-4,6-7,9,11,13,16H,5,8,10,12H2,1H3,(H,20,23)(H,21,22)/t16-/m0/s1