(2S)-1-[[3-benzamido-4-(4-hydroxyphenyl)-2-oxidanylidene-butyl]-methyl-carbamoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[[3-benzamido-4-(4-hydroxyphenyl)-2-oxidanylidene-butyl]-methyl-carbamoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[[3-benzamido-4-(4-hydroxyphenyl)-2-oxo-butyl]-methyl-carbamoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[[[3-benzamido-4-(4-hydroxyphenyl)-2-oxobutyl]-methylamino]-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[[3-benzamido-4-(4-hydroxyphenyl)-2-oxobutyl]-methylcarbamoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[[3-benzamido-4-(4-hydroxyphenyl)-2-keto-butyl]-methyl-carbamoyl]proline Formula: C24H27N3O6 MolecularWeight: 453.48768

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C2=CC=CC=C2)C(=O)N3CCCC3C(=O)O

Isomeric SMILES

CN(CC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C2=CC=CC=C2)C(=O)N3CCC[C@H]3C(=O)O

InChI

InChI=1S/C24H27N3O6/c1-26(24(33)27-13-5-8-20(27)23(31)32)15-21(29)19(14-16-9-11-18(28)12-10-16)25-22(30)17-6-3-2-4-7-17/h2-4,6-7,9-12,19-20,28H,5,8,13-15H2,1H3,(H,25,30)(H,31,32)/t19?,20-/m0/s1