(4-nitrophenyl) 3-phenyl-2-[2-(tridecanoylamino)ethanoylamino]propanoate

Systemtic Name: (4-nitrophenyl) 3-phenyl-2-[2-(tridecanoylamino)ethanoylamino]propanoate Openeye Name: (4-nitrophenyl) 3-phenyl-2-[[2-(tridecanoylamino)acetyl]amino]propanoate CAS Name: 2-[[1-oxo-2-(1-oxotridecylamino)ethyl]amino]-3-phenylpropanoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 3-phenyl-2-[[2-(tridecanoylamino)acetyl]amino]propanoate Traditional Name: 3-phenyl-2-[[2-(tridecanoylamino)acetyl]amino]propionic acid (4-nitrophenyl) ester Formula: C30H41N3O6 MolecularWeight: 539.66304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H41N3O6/c1-2-3-4-5-6-7-8-9-10-14-17-28(34)31-23-29(35)32-27(22-24-15-12-11-13-16-24)30(36)39-26-20-18-25(19-21-26)33(37)38/h11-13,15-16,18-21,27H,2-10,14,17,22-23H2,1H3,(H,31,34)(H,32,35)