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

Systemtic Name: methyl 3-oxidanyl-2-[4-(thiophen-2-ylcarbonylamino)butanoylamino]propanoate Openeye Name: methyl 3-hydroxy-2-[4-(thiophene-2-carbonylamino)butanoylamino]propanoate CAS Name: 3-hydroxy-2-[[1-oxo-4-[[oxo(thiophen-2-yl)methyl]amino]butyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-hydroxy-2-[4-(thiophene-2-carbonylamino)butanoylamino]propanoate Traditional Name: 3-hydroxy-2-[4-(2-thenoylamino)butanoylamino]propionic acid methyl ester Formula: C13H18N2O5S MolecularWeight: 314.35742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NC(=O)CCCNC(=O)C1=CC=CS1

Isomeric SMILES

COC(=O)C(CO)NC(=O)CCCNC(=O)C1=CC=CS1

InChI

InChI=1S/C13H18N2O5S/c1-20-13(19)9(8-16)15-11(17)5-2-6-14-12(18)10-4-3-7-21-10/h3-4,7,9,16H,2,5-6,8H2,1H3,(H,14,18)(H,15,17)