3-[[3,4-bis(oxidanyl)-6-phenylmethoxy-5-(phenylmethoxycarbonylamino)oxan-2-yl]methylcarbamoyl]benzoic acid

Systemtic Name: 3-[[3,4-bis(oxidanyl)-6-phenylmethoxy-5-(phenylmethoxycarbonylamino)oxan-2-yl]methylcarbamoyl]benzoic acid Openeye Name: 3-[[6-benzyloxy-5-(benzyloxycarbonylamino)-3,4-dihydroxy-tetrahydropyran-2-yl]methylcarbamoyl]benzoic acid CAS Name: 3-[[[3,4-dihydroxy-6-phenylmethoxy-5-(phenylmethoxycarbonylamino)-2-oxanyl]methylamino]-oxomethyl]benzoic acid IUPAC Name: 3-[[3,4-dihydroxy-6-phenylmethoxy-5-(phenylmethoxycarbonylamino)oxan-2-yl]methylcarbamoyl]benzoic acid Traditional Name: 3-[[6-benzoxy-5-(benzyloxycarbonylamino)-3,4-dihydroxy-tetrahydropyran-2-yl]methylcarbamoyl]benzoic acid Formula: C29H30N2O9 MolecularWeight: 550.5565

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2C(C(C(C(O2)CNC(=O)C3=CC(=CC=C3)C(=O)O)O)O)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)COC2C(C(C(C(O2)CNC(=O)C3=CC(=CC=C3)C(=O)O)O)O)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C29H30N2O9/c32-24-22(15-30-26(34)20-12-7-13-21(14-20)27(35)36)40-28(38-16-18-8-3-1-4-9-18)23(25(24)33)31-29(37)39-17-19-10-5-2-6-11-19/h1-14,22-25,28,32-33H,15-17H2,(H,30,34)(H,31,37)(H,35,36)