(phenylmethyl) 5-[[3-[3,4-bis(oxidanyl)phenyl]-1-oxidanylidene-1-phenylmethoxy-propan-2-yl]amino]-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoate

Systemtic Name: (phenylmethyl) 5-[[3-[3,4-bis(oxidanyl)phenyl]-1-oxidanylidene-1-phenylmethoxy-propan-2-yl]amino]-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoate Openeye Name: benzyl 2-(benzyloxycarbonylamino)-5-[[2-benzyloxy-1-[(3,4-dihydroxyphenyl)methyl]-2-oxo-ethyl]amino]-5-oxo-pentanoate CAS Name: 5-[[3-(3,4-dihydroxyphenyl)-1-oxo-1-phenylmethoxypropan-2-yl]amino]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 5-[[3-(3,4-dihydroxyphenyl)-1-oxo-1-phenylmethoxypropan-2-yl]amino]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoate Traditional Name: 5-[(2-benzoxy-2-keto-1-protocatechuyl-ethyl)amino]-2-(benzyloxycarbonylamino)-5-keto-valeric acid benzyl ester Formula: C36H36N2O9 MolecularWeight: 640.67904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CCC(=O)NC(CC2=CC(=C(C=C2)O)O)C(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C(CCC(=O)NC(CC2=CC(=C(C=C2)O)O)C(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C36H36N2O9/c39-31-18-16-28(21-32(31)40)20-30(35(43)46-23-26-12-6-2-7-13-26)37-33(41)19-17-29(34(42)45-22-25-10-4-1-5-11-25)38-36(44)47-24-27-14-8-3-9-15-27/h1-16,18,21,29-30,39-40H,17,19-20,22-24H2,(H,37,41)(H,38,44)