4-[(2-methylpropan-2-yl)oxycarbonyl-phenyl-amino]-4-oxidanylidene-3-(phenylcarbamoylamino)butanoic acid

Systemtic Name: 4-[(2-methylpropan-2-yl)oxycarbonyl-phenyl-amino]-4-oxidanylidene-3-(phenylcarbamoylamino)butanoic acid Openeye Name: 4-(N-tert-butoxycarbonylanilino)-4-oxo-3-(phenylcarbamoylamino)butanoic acid CAS Name: 3-[[anilino(oxo)methyl]amino]-4-(N-[(2-methylpropan-2-yl)oxy-oxomethyl]anilino)-4-oxobutanoic acid IUPAC Name: 4-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-4-oxo-3-(phenylcarbamoylamino)butanoic acid Traditional Name: 4-(N-tert-butoxycarbonylanilino)-4-keto-3-(phenylcarbamoylamino)butyric acid Formula: C22H25N3O6 MolecularWeight: 427.4504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C1=CC=CC=C1)C(=O)C(CC(=O)O)NC(=O)NC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N(C1=CC=CC=C1)C(=O)C(CC(=O)O)NC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C22H25N3O6/c1-22(2,3)31-21(30)25(16-12-8-5-9-13-16)19(28)17(14-18(26)27)24-20(29)23-15-10-6-4-7-11-15/h4-13,17H,14H2,1-3H3,(H,26,27)(H2,23,24,29)