3-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]-2-(4-phenylmethoxyphenyl)propanoic acid

Systemtic Name: 3-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]-2-(4-phenylmethoxyphenyl)propanoic acid Openeye Name: 2-(4-benzyloxyphenyl)-3-[[2-(tert-butoxycarbonylamino)-3-methyl-butanoyl]amino]propanoic acid CAS Name: 3-[[3-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxobutyl]amino]-2-(4-phenylmethoxyphenyl)propanoic acid IUPAC Name: 3-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]-2-(4-phenylmethoxyphenyl)propanoic acid Traditional Name: 2-(4-benzoxyphenyl)-3-[[2-(tert-butoxycarbonylamino)-3-methyl-butanoyl]amino]propionic acid Formula: C26H34N2O6 MolecularWeight: 470.55796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC(C1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C(C(=O)NCC(C1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C26H34N2O6/c1-17(2)22(28-25(32)34-26(3,4)5)23(29)27-15-21(24(30)31)19-11-13-20(14-12-19)33-16-18-9-7-6-8-10-18/h6-14,17,21-22H,15-16H2,1-5H3,(H,27,29)(H,28,32)(H,30,31)