[(2R)-1-[[(2S,3S,4R)-16-methyl-3,4-bis(oxidanyl)-1-(triphenylmethyl)oxy-heptadecan-2-yl]amino]-1-oxidanylidene-docosan-2-yl] benzoate

Systemtic Name: [(2R)-1-[[(2S,3S,4R)-16-methyl-3,4-bis(oxidanyl)-1-(triphenylmethyl)oxy-heptadecan-2-yl]amino]-1-oxidanylidene-docosan-2-yl] benzoate Openeye Name: [(1R)-1-[[(1S,2S,3R)-2,3-dihydroxy-15-methyl-1-(trityloxymethyl)hexadecyl]carbamoyl]henicosyl] benzoate CAS Name: benzoic acid [(2R)-1-[[(2S,3S,4R)-3,4-dihydroxy-16-methyl-1-(triphenylmethyl)oxyheptadecan-2-yl]amino]-1-oxodocosan-2-yl] ester IUPAC Name: [(2R)-1-[[(2S,3S,4R)-3,4-dihydroxy-16-methyl-1-trityloxyheptadecan-2-yl]amino]-1-oxodocosan-2-yl] benzoate Traditional Name: benzoic acid [(1R)-1-[[(1S,2S,3R)-2,3-dihydroxy-15-methyl-1-(trityloxymethyl)hexadecyl]carbamoyl]heneicosyl] ester Formula: C66H99NO6 MolecularWeight: 1002.49536

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCC(C(=O)NC(COC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(C(CCCCCCCCCCCC(C)C)O)O)OC(=O)C4=CC=CC=C4

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC[C@H](C(=O)N[C@@H](COC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)[C@@H]([C@@H](CCCCCCCCCCCC(C)C)O)O)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C66H99NO6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-27-42-53-62(73-65(71)56-44-33-28-34-45-56)64(70)67-60(63(69)61(68)52-41-26-23-20-18-19-22-25-32-43-55(2)3)54-72-66(57-46-35-29-36-47-57,58-48-37-30-38-49-58)59-50-39-31-40-51-59/h28-31,33-40,44-51,55,60-63,68-69H,4-27,32,41-43,52-54H2,1-3H3,(H,67,70)/t60-,61+,62+,63-/m0/s1