1-[5-oxidanyl-2-[[1-oxidanyl-1,6-bis(oxidanylidene)-6-thiophen-2-yl-hexan-2-yl]amino]-5-oxidanylidene-pentanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[5-oxidanyl-2-[[1-oxidanyl-1,6-bis(oxidanylidene)-6-thiophen-2-yl-hexan-2-yl]amino]-5-oxidanylidene-pentanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[[1-carboxy-5-oxo-5-(2-thienyl)pentyl]amino]-5-hydroxy-5-oxo-pentanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[5-hydroxy-2-[(1-hydroxy-1,6-dioxo-6-thiophen-2-ylhexan-2-yl)amino]-1,5-dioxopentyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[5-hydroxy-2-[(1-hydroxy-1,6-dioxo-6-thiophen-2-ylhexan-2-yl)amino]-5-oxopentanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[[1-carboxy-5-keto-5-(2-thienyl)pentyl]amino]-5-hydroxy-5-keto-pentanoyl]proline Formula: C20H26N2O8S MolecularWeight: 454.49404

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CCC(=O)O)NC(CCCC(=O)C2=CC=CS2)C(=O)O)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C(CCC(=O)O)NC(CCCC(=O)C2=CC=CS2)C(=O)O)C(=O)O

InChI

InChI=1S/C20H26N2O8S/c23-15(16-7-3-11-31-16)6-1-4-13(19(27)28)21-12(8-9-17(24)25)18(26)22-10-2-5-14(22)20(29)30/h3,7,11-14,21H,1-2,4-6,8-10H2,(H,24,25)(H,27,28)(H,29,30)