2-(2-azanylpropanoyl)-1-[1-oxidanyl-1-oxidanylidene-3-(1-oxidanyl-1-oxidanylidene-heptan-2-yl)sulfanyl-propan-2-yl]pyrrolidine-2-carboxylic acid

Systemtic Name: 2-(2-azanylpropanoyl)-1-[1-oxidanyl-1-oxidanylidene-3-(1-oxidanyl-1-oxidanylidene-heptan-2-yl)sulfanyl-propan-2-yl]pyrrolidine-2-carboxylic acid Openeye Name: 2-(2-aminopropanoyl)-1-[1-(1-carboxyhexylsulfanylmethyl)-2-hydroxy-2-oxo-ethyl]pyrrolidine-2-carboxylic acid CAS Name: 2-(2-amino-1-oxopropyl)-1-[1-hydroxy-3-[(1-hydroxy-1-oxoheptan-2-yl)thio]-1-oxopropan-2-yl]-2-pyrrolidinecarboxylic acid IUPAC Name: 2-(2-aminopropanoyl)-1-[1-hydroxy-3-(1-hydroxy-1-oxoheptan-2-yl)sulfanyl-1-oxopropan-2-yl]pyrrolidine-2-carboxylic acid Traditional Name: 2-alanyl-1-[1-[(1-carboxyhexylthio)methyl]-2-hydroxy-2-keto-ethyl]proline Formula: C18H30N2O7S MolecularWeight: 418.505

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(=O)O)SCC(C(=O)O)N1CCCC1(C(=O)C(C)N)C(=O)O

Isomeric SMILES

CCCCCC(C(=O)O)SCC(C(=O)O)N1CCCC1(C(=O)C(C)N)C(=O)O

InChI

InChI=1S/C18H30N2O7S/c1-3-4-5-7-13(16(24)25)28-10-12(15(22)23)20-9-6-8-18(20,17(26)27)14(21)11(2)19/h11-13H,3-10,19H2,1-2H3,(H,22,23)(H,24,25)(H,26,27)