tert-butyl 2-[[2-[2-acetamidoethanoyl-(phenylmethyl)amino]-3-methyl-butanoyl]amino]ethanoate

Systemtic Name: tert-butyl 2-[[2-[2-acetamidoethanoyl-(phenylmethyl)amino]-3-methyl-butanoyl]amino]ethanoate Openeye Name: tert-butyl 2-[[2-[(2-acetamidoacetyl)-benzyl-amino]-3-methyl-butanoyl]amino]acetate CAS Name: 2-[[2-[(2-acetamido-1-oxoethyl)-(phenylmethyl)amino]-3-methyl-1-oxobutyl]amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[2-[(2-acetamidoacetyl)-benzylamino]-3-methylbutanoyl]amino]acetate Traditional Name: 2-[[2-[(2-acetamidoacetyl)-benzyl-amino]-3-methyl-butanoyl]amino]acetic acid tert-butyl ester Formula: C22H33N3O5 MolecularWeight: 419.51452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC(=O)OC(C)(C)C)N(CC1=CC=CC=C1)C(=O)CNC(=O)C

Isomeric SMILES

CC(C)C(C(=O)NCC(=O)OC(C)(C)C)N(CC1=CC=CC=C1)C(=O)CNC(=O)C

InChI

InChI=1S/C22H33N3O5/c1-15(2)20(21(29)24-13-19(28)30-22(4,5)6)25(18(27)12-23-16(3)26)14-17-10-8-7-9-11-17/h7-11,15,20H,12-14H2,1-6H3,(H,23,26)(H,24,29)