[(2S,3R)-2-[bis(phenylmethyl)amino]-3-oxidanyl-6-oxidanylidene-octadecyl] ethanoate

Systemtic Name: [(2S,3R)-2-[bis(phenylmethyl)amino]-3-oxidanyl-6-oxidanylidene-octadecyl] ethanoate Openeye Name: [(2S,3R)-2-(dibenzylamino)-3-hydroxy-6-oxo-octadecyl] acetate CAS Name: acetic acid [(2S,3R)-2-[bis(phenylmethyl)amino]-3-hydroxy-6-oxooctadecyl] ester IUPAC Name: [(2S,3R)-2-(dibenzylamino)-3-hydroxy-6-oxooctadecyl] acetate Traditional Name: acetic acid [(2S,3R)-2-(dibenzylamino)-3-hydroxy-6-keto-octadecyl] ester Formula: C34H51NO4 MolecularWeight: 537.77304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(=O)CCC(C(COC(=O)C)N(CC1=CC=CC=C1)CC2=CC=CC=C2)O

Isomeric SMILES

CCCCCCCCCCCCC(=O)CC[C@H]([C@H](COC(=O)C)N(CC1=CC=CC=C1)CC2=CC=CC=C2)O

InChI

InChI=1S/C34H51NO4/c1-3-4-5-6-7-8-9-10-11-18-23-32(37)24-25-34(38)33(28-39-29(2)36)35(26-30-19-14-12-15-20-30)27-31-21-16-13-17-22-31/h12-17,19-22,33-34,38H,3-11,18,23-28H2,1-2H3/t33-,34+/m0/s1