(4-nitrophenyl) (2S)-2-(butanoylamino)-3-(4-phenylmethoxyphenyl)propanoate

Systemtic Name: (4-nitrophenyl) (2S)-2-(butanoylamino)-3-(4-phenylmethoxyphenyl)propanoate Openeye Name: (4-nitrophenyl) (2S)-3-(4-benzyloxyphenyl)-2-(butanoylamino)propanoate CAS Name: (2S)-2-(1-oxobutylamino)-3-(4-phenylmethoxyphenyl)propanoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) (2S)-2-(butanoylamino)-3-(4-phenylmethoxyphenyl)propanoate Traditional Name: (2S)-3-(4-benzoxyphenyl)-2-butyramido-propionic acid (4-nitrophenyl) ester Formula: C26H26N2O6 MolecularWeight: 462.49444

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)N[C@@H](CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C26H26N2O6/c1-2-6-25(29)27-24(26(30)34-23-15-11-21(12-16-23)28(31)32)17-19-9-13-22(14-10-19)33-18-20-7-4-3-5-8-20/h3-5,7-16,24H,2,6,17-18H2,1H3,(H,27,29)/t24-/m0/s1