(4-nitrophenyl) (2S)-2-(dodecanoylamino)-3-phenyl-propanoate

Systemtic Name: (4-nitrophenyl) (2S)-2-(dodecanoylamino)-3-phenyl-propanoate Openeye Name: (4-nitrophenyl) (2S)-2-(dodecanoylamino)-3-phenyl-propanoate CAS Name: (2S)-2-(1-oxododecylamino)-3-phenylpropanoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) (2S)-2-(dodecanoylamino)-3-phenylpropanoate Traditional Name: (2S)-2-(lauroylamino)-3-phenyl-propionic acid (4-nitrophenyl) ester Formula: C27H36N2O5 MolecularWeight: 468.58514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC(CC1=CC=CC=C1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C27H36N2O5/c1-2-3-4-5-6-7-8-9-13-16-26(30)28-25(21-22-14-11-10-12-15-22)27(31)34-24-19-17-23(18-20-24)29(32)33/h10-12,14-15,17-20,25H,2-9,13,16,21H2,1H3,(H,28,30)/t25-/m0/s1