tert-butyl 4-[[2-[[1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]butanoate

Systemtic Name: tert-butyl 4-[[2-[[1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]butanoate Openeye Name: tert-butyl 4-[[2-[[1-benzyl-2-(methylamino)-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]butanoate CAS Name: 4-[[2-[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]butanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[2-[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]butanoate Traditional Name: 4-[[2-[[1-benzyl-2-keto-2-(methylamino)ethyl]amino]-2-keto-ethyl]amino]butyric acid tert-butyl ester Formula: C20H31N3O4 MolecularWeight: 377.47784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCCNCC(=O)NC(CC1=CC=CC=C1)C(=O)NC

Isomeric SMILES

CC(C)(C)OC(=O)CCCNCC(=O)NC(CC1=CC=CC=C1)C(=O)NC

InChI

InChI=1S/C20H31N3O4/c1-20(2,3)27-18(25)11-8-12-22-14-17(24)23-16(19(26)21-4)13-15-9-6-5-7-10-15/h5-7,9-10,16,22H,8,11-14H2,1-4H3,(H,21,26)(H,23,24)