1-[3-methoxy-2-[(3-methoxy-2-sulfanyl-pentanoyl)amino]butanoyl]-2-oxidanyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[3-methoxy-2-[(3-methoxy-2-sulfanyl-pentanoyl)amino]butanoyl]-2-oxidanyl-pyrrolidine-2-carboxylic acid Openeye Name: 2-hydroxy-1-[3-methoxy-2-[(3-methoxy-2-sulfanyl-pentanoyl)amino]butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 2-hydroxy-1-[2-[(2-mercapto-3-methoxy-1-oxopentyl)amino]-3-methoxy-1-oxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 2-hydroxy-1-[3-methoxy-2-[(3-methoxy-2-sulfanylpentanoyl)amino]butanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 2-hydroxy-1-[2-[(2-mercapto-3-methoxy-pentanoyl)amino]-3-methoxy-butanoyl]proline Formula: C16H28N2O7S MolecularWeight: 392.46772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C(=O)NC(C(C)OC)C(=O)N1CCCC1(C(=O)O)O)S)OC

Isomeric SMILES

CCC(C(C(=O)NC(C(C)OC)C(=O)N1CCCC1(C(=O)O)O)S)OC

InChI

InChI=1S/C16H28N2O7S/c1-5-10(25-4)12(26)13(19)17-11(9(2)24-3)14(20)18-8-6-7-16(18,23)15(21)22/h9-12,23,26H,5-8H2,1-4H3,(H,17,19)(H,21,22)