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

Systemtic Name: methyl (3S,4R,5R)-5-[bis(phenylmethyl)amino]-3-nitro-4-oxidanyl-5-phenyl-pentanoate Openeye Name: methyl (3S,4R,5R)-5-(dibenzylamino)-4-hydroxy-3-nitro-5-phenyl-pentanoate CAS Name: (3S,4R,5R)-5-[bis(phenylmethyl)amino]-4-hydroxy-3-nitro-5-phenylpentanoic acid methyl ester IUPAC Name: methyl (3S,4R,5R)-5-(dibenzylamino)-4-hydroxy-3-nitro-5-phenylpentanoate Traditional Name: (3S,4R,5R)-5-(dibenzylamino)-4-hydroxy-3-nitro-5-phenyl-valeric acid methyl ester Formula: C26H28N2O5 MolecularWeight: 448.51092

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H28N2O5/c1-33-24(29)17-23(28(31)32)26(30)25(22-15-9-4-10-16-22)27(18-20-11-5-2-6-12-20)19-21-13-7-3-8-14-21/h2-16,23,25-26,30H,17-19H2,1H3/t23-,25+,26-/m0/s1