2-[[3,3-dimethyl-1-oxidanylidene-1-[(phenylmethyl)amino]butan-2-yl]carbamoyl]-5-methyl-hexanoic acid

Systemtic Name: 2-[[3,3-dimethyl-1-oxidanylidene-1-[(phenylmethyl)amino]butan-2-yl]carbamoyl]-5-methyl-hexanoic acid Openeye Name: 2-[[1-(benzylcarbamoyl)-2,2-dimethyl-propyl]carbamoyl]-5-methyl-hexanoic acid CAS Name: 2-[[[3,3-dimethyl-1-oxo-1-[(phenylmethyl)amino]butan-2-yl]amino]-oxomethyl]-5-methylhexanoic acid IUPAC Name: 2-[[1-(benzylamino)-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]-5-methylhexanoic acid Traditional Name: 2-[[1-(benzylcarbamoyl)-2,2-dimethyl-propyl]carbamoyl]-5-methyl-hexanoic acid Formula: C21H32N2O4 MolecularWeight: 376.48978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C(=O)NC(C(=O)NCC1=CC=CC=C1)C(C)(C)C)C(=O)O

Isomeric SMILES

CC(C)CCC(C(=O)NC(C(=O)NCC1=CC=CC=C1)C(C)(C)C)C(=O)O

InChI

InChI=1S/C21H32N2O4/c1-14(2)11-12-16(20(26)27)18(24)23-17(21(3,4)5)19(25)22-13-15-9-7-6-8-10-15/h6-10,14,16-17H,11-13H2,1-5H3,(H,22,25)(H,23,24)(H,26,27)