methyl (2R,4S,5S)-5-[bis(phenylmethyl)amino]-6-cyclohexyl-2-(2-methylpropyl)-4-oxidanyl-hexanoate

Systemtic Name: methyl (2R,4S,5S)-5-[bis(phenylmethyl)amino]-6-cyclohexyl-2-(2-methylpropyl)-4-oxidanyl-hexanoate Openeye Name: methyl (2R,4S,5S)-6-cyclohexyl-5-(dibenzylamino)-4-hydroxy-2-isobutyl-hexanoate CAS Name: (2R,4S,5S)-5-[bis(phenylmethyl)amino]-6-cyclohexyl-4-hydroxy-2-(2-methylpropyl)hexanoic acid methyl ester IUPAC Name: methyl (2R,4S,5S)-6-cyclohexyl-5-(dibenzylamino)-4-hydroxy-2-(2-methylpropyl)hexanoate Traditional Name: (2R,4S,5S)-6-cyclohexyl-5-(dibenzylamino)-4-hydroxy-2-isobutyl-hexanoic acid methyl ester Formula: C31H45NO3 MolecularWeight: 479.6939

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(C(CC1CCCCC1)N(CC2=CC=CC=C2)CC3=CC=CC=C3)O)C(=O)OC

Isomeric SMILES

CC(C)C[C@H](C[C@@H]([C@H](CC1CCCCC1)N(CC2=CC=CC=C2)CC3=CC=CC=C3)O)C(=O)OC

InChI

InChI=1S/C31H45NO3/c1-24(2)19-28(31(34)35-3)21-30(33)29(20-25-13-7-4-8-14-25)32(22-26-15-9-5-10-16-26)23-27-17-11-6-12-18-27/h5-6,9-12,15-18,24-25,28-30,33H,4,7-8,13-14,19-23H2,1-3H3/t28-,29+,30+/m1/s1