3-[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-2-oxidanylidene-1-(phenylmethyl)imidazolidine-4-carboxylic acid

Systemtic Name: 3-[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-2-oxidanylidene-1-(phenylmethyl)imidazolidine-4-carboxylic acid Openeye Name: 1-benzyl-3-[2-(tert-butoxycarbonylamino)-3-methyl-butanoyl]-2-oxo-imidazolidine-4-carboxylic acid CAS Name: 3-[3-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxobutyl]-2-oxo-1-(phenylmethyl)-4-imidazolidinecarboxylic acid IUPAC Name: 1-benzyl-3-[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-2-oxoimidazolidine-4-carboxylic acid Traditional Name: 1-benzyl-3-[2-(tert-butoxycarbonylamino)-3-methyl-butanoyl]-2-keto-imidazolidine-4-carboxylic acid Formula: C21H29N3O6 MolecularWeight: 419.47146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1C(CN(C1=O)CC2=CC=CC=C2)C(=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C(C(=O)N1C(CN(C1=O)CC2=CC=CC=C2)C(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H29N3O6/c1-13(2)16(22-19(28)30-21(3,4)5)17(25)24-15(18(26)27)12-23(20(24)29)11-14-9-7-6-8-10-14/h6-10,13,15-16H,11-12H2,1-5H3,(H,22,28)(H,26,27)