methyl (3S,4R,5R)-5-[bis(phenylmethyl)amino]-3-nitro-4-oxidanyl-6-phenyl-hexanoate

Systemtic Name: methyl (3S,4R,5R)-5-[bis(phenylmethyl)amino]-3-nitro-4-oxidanyl-6-phenyl-hexanoate Openeye Name: methyl (3S,4R,5R)-5-(dibenzylamino)-4-hydroxy-3-nitro-6-phenyl-hexanoate CAS Name: (3S,4R,5R)-5-[bis(phenylmethyl)amino]-4-hydroxy-3-nitro-6-phenylhexanoic acid methyl ester IUPAC Name: methyl (3S,4R,5R)-5-(dibenzylamino)-4-hydroxy-3-nitro-6-phenylhexanoate Traditional Name: (3S,4R,5R)-5-(dibenzylamino)-4-hydroxy-3-nitro-6-phenyl-hexanoic acid methyl ester Formula: C27H30N2O5 MolecularWeight: 462.5375

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C(C(CC1=CC=CC=C1)N(CC2=CC=CC=C2)CC3=CC=CC=C3)O)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C[C@@H]([C@@H]([C@@H](CC1=CC=CC=C1)N(CC2=CC=CC=C2)CC3=CC=CC=C3)O)[N+](=O)[O-]

InChI

InChI=1S/C27H30N2O5/c1-34-26(30)18-25(29(32)33)27(31)24(17-21-11-5-2-6-12-21)28(19-22-13-7-3-8-14-22)20-23-15-9-4-10-16-23/h2-16,24-25,27,31H,17-20H2,1H3/t24-,25+,27-/m1/s1