1-[4-[2-carboxy-4-(thiophen-2-ylcarbonylamino)pyrrolidin-1-yl]-4-oxidanylidene-butanoyl]-4-(2-methylsulfanylethanoylamino)pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[4-[2-carboxy-4-(thiophen-2-ylcarbonylamino)pyrrolidin-1-yl]-4-oxidanylidene-butanoyl]-4-(2-methylsulfanylethanoylamino)pyrrolidine-2-carboxylic acid Openeye Name: 1-[4-[2-carboxy-4-(thiophene-2-carbonylamino)pyrrolidin-1-yl]-4-oxo-butanoyl]-4-[(2-methylsulfanylacetyl)amino]pyrrolidine-2-carboxylic acid CAS Name: 1-[4-[2-carboxy-4-[[oxo(thiophen-2-yl)methyl]amino]-1-pyrrolidinyl]-1,4-dioxobutyl]-4-[[2-(methylthio)-1-oxoethyl]amino]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-[2-carboxy-4-(thiophene-2-carbonylamino)pyrrolidin-1-yl]-4-oxobutanoyl]-4-[(2-methylsulfanylacetyl)amino]pyrrolidine-2-carboxylic acid Traditional Name: 1-[4-[2-carboxy-4-(2-thenoylamino)pyrrolidino]-4-keto-butanoyl]-4-[[2-(methylthio)acetyl]amino]proline Formula: C22H28N4O8S2 MolecularWeight: 540.60972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCC(=O)NC1CC(N(C1)C(=O)CCC(=O)N2CC(CC2C(=O)O)NC(=O)C3=CC=CS3)C(=O)O

Isomeric SMILES

CSCC(=O)NC1CC(N(C1)C(=O)CCC(=O)N2CC(CC2C(=O)O)NC(=O)C3=CC=CS3)C(=O)O

InChI

InChI=1S/C22H28N4O8S2/c1-35-11-17(27)23-12-7-14(21(31)32)25(9-12)18(28)4-5-19(29)26-10-13(8-15(26)22(33)34)24-20(30)16-3-2-6-36-16/h2-3,6,12-15H,4-5,7-11H2,1H3,(H,23,27)(H,24,30)(H,31,32)(H,33,34)