4-[1,1-bis[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]oxy]propan-2-yloxy]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[1,1-bis[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]oxy]propan-2-yloxy]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2,2-bis[[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]oxy]-1-methyl-ethoxy]-4-oxo-butanoic acid CAS Name: 4-[1,1-bis[3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butoxy]propan-2-yloxy]-4-oxobutanoic acid IUPAC Name: 4-[1,1-bis[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]oxy]propan-2-yloxy]-4-oxobutanoic acid Traditional Name: 4-[2,2-bis[[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]oxy]-1-methyl-ethoxy]-4-keto-butyric acid Formula: C33H42N2O12 MolecularWeight: 658.69278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C(C)OC(=O)CCC(=O)O)OC(=O)C(C(C)C)NC(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)C(C(=O)OC(C(C)OC(=O)CCC(=O)O)OC(=O)C(C(C)C)NC(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C33H42N2O12/c1-20(2)27(34-32(41)43-18-23-12-8-6-9-13-23)29(39)46-31(22(5)45-26(38)17-16-25(36)37)47-30(40)28(21(3)4)35-33(42)44-19-24-14-10-7-11-15-24/h6-15,20-22,27-28,31H,16-19H2,1-5H3,(H,34,41)(H,35,42)(H,36,37)