1-[3-methyl-2-[[2-[(4-methyl-2-nitro-3-oxidanyl-phenyl)carbonylamino]-3-oxidanyl-butanoyl]amino]butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[3-methyl-2-[[2-[(4-methyl-2-nitro-3-oxidanyl-phenyl)carbonylamino]-3-oxidanyl-butanoyl]amino]butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[[3-hydroxy-2-[(3-hydroxy-4-methyl-2-nitro-benzoyl)amino]butanoyl]amino]-3-methyl-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[[3-hydroxy-2-[[(3-hydroxy-4-methyl-2-nitrophenyl)-oxomethyl]amino]-1-oxobutyl]amino]-3-methyl-1-oxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[[3-hydroxy-2-[(3-hydroxy-4-methyl-2-nitrobenzoyl)amino]butanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[[3-hydroxy-2-[(3-hydroxy-4-methyl-2-nitro-benzoyl)amino]butanoyl]amino]-3-methyl-butanoyl]proline Formula: C22H30N4O9 MolecularWeight: 494.495

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C(=O)NC(C(C)O)C(=O)NC(C(C)C)C(=O)N2CCCC2C(=O)O)[N+](=O)[O-])O

Isomeric SMILES

CC1=C(C(=C(C=C1)C(=O)NC(C(C)O)C(=O)NC(C(C)C)C(=O)N2CCCC2C(=O)O)[N+](=O)[O-])O

InChI

InChI=1S/C22H30N4O9/c1-10(2)15(21(31)25-9-5-6-14(25)22(32)33)23-20(30)16(12(4)27)24-19(29)13-8-7-11(3)18(28)17(13)26(34)35/h7-8,10,12,14-16,27-28H,5-6,9H2,1-4H3,(H,23,30)(H,24,29)(H,32,33)