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

Systemtic Name: 1-[2-[[2-[(2-azanyl-4-methyl-3-oxidanyl-phenyl)carbonylamino]-3-oxidanyl-butanoyl]amino]-3-methyl-butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[[2-[(2-amino-3-hydroxy-4-methyl-benzoyl)amino]-3-hydroxy-butanoyl]amino]-3-methyl-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[[2-[[(2-amino-3-hydroxy-4-methylphenyl)-oxomethyl]amino]-3-hydroxy-1-oxobutyl]amino]-3-methyl-1-oxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[[2-[(2-amino-3-hydroxy-4-methylbenzoyl)amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[[2-[(2-amino-3-hydroxy-4-methyl-benzoyl)amino]-3-hydroxy-butanoyl]amino]-3-methyl-butanoyl]proline Formula: C22H32N4O7 MolecularWeight: 464.51208

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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

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

InChI

InChI=1S/C22H32N4O7/c1-10(2)16(21(31)26-9-5-6-14(26)22(32)33)24-20(30)17(12(4)27)25-19(29)13-8-7-11(3)18(28)15(13)23/h7-8,10,12,14,16-17,27-28H,5-6,9,23H2,1-4H3,(H,24,30)(H,25,29)(H,32,33)