2-(2,2-dimethylpropoxycarbonylamino)-3-[2-oxidanyl-4-oxidanylidene-2-(3-phenylmethoxypropyl)-3H-chromen-6-yl]propanoic acid

Systemtic Name: 2-(2,2-dimethylpropoxycarbonylamino)-3-[2-oxidanyl-4-oxidanylidene-2-(3-phenylmethoxypropyl)-3H-chromen-6-yl]propanoic acid Openeye Name: 3-[2-(3-benzyloxypropyl)-2-hydroxy-4-oxo-chroman-6-yl]-2-(2,2-dimethylpropoxycarbonylamino)propanoic acid CAS Name: 2-[[2,2-dimethylpropoxy(oxo)methyl]amino]-3-[2-hydroxy-4-oxo-2-(3-phenylmethoxypropyl)-3,4-dihydro-2H-1-benzopyran-6-yl]propanoic acid IUPAC Name: 2-(2,2-dimethylpropoxycarbonylamino)-3-[2-hydroxy-4-oxo-2-(3-phenylmethoxypropyl)-3H-chromen-6-yl]propanoic acid Traditional Name: 3-[2-(3-benzoxypropyl)-2-hydroxy-4-keto-chroman-6-yl]-2-(neopentyloxycarbonylamino)propionic acid Formula: C28H35NO8 MolecularWeight: 513.5794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)COC(=O)NC(CC1=CC2=C(C=C1)OC(CC2=O)(CCCOCC3=CC=CC=C3)O)C(=O)O

Isomeric SMILES

CC(C)(C)COC(=O)NC(CC1=CC2=C(C=C1)OC(CC2=O)(CCCOCC3=CC=CC=C3)O)C(=O)O

InChI

InChI=1S/C28H35NO8/c1-27(2,3)18-36-26(33)29-22(25(31)32)15-20-10-11-24-21(14-20)23(30)16-28(34,37-24)12-7-13-35-17-19-8-5-4-6-9-19/h4-6,8-11,14,22,34H,7,12-13,15-18H2,1-3H3,(H,29,33)(H,31,32)