(4-hexadecanoyl-2-nitro-phenyl) (2S)-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: (4-hexadecanoyl-2-nitro-phenyl) (2S)-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: (4-hexadecanoyl-2-nitro-phenyl) (2S)-2-(benzyloxycarbonylamino)propanoate CAS Name: (2S)-2-(phenylmethoxycarbonylamino)propanoic acid [2-nitro-4-(1-oxohexadecyl)phenyl] ester IUPAC Name: (4-hexadecanoyl-2-nitrophenyl) (2S)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)propionic acid (4-hexadecanoyl-2-nitro-phenyl) ester Formula: C33H46N2O7 MolecularWeight: 582.72754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)C1=CC(=C(C=C1)OC(=O)C(C)NC(=O)OCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)C1=CC(=C(C=C1)OC(=O)[C@H](C)NC(=O)OCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C33H46N2O7/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-21-30(36)28-22-23-31(29(24-28)35(39)40)42-32(37)26(2)34-33(38)41-25-27-19-16-15-17-20-27/h15-17,19-20,22-24,26H,3-14,18,21,25H2,1-2H3,(H,34,38)/t26-/m0/s1