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

Systemtic Name: (4-nitrophenyl) 2-[2-[2-(heptadecanoylamino)ethanoylamino]ethanoylamino]-3-phenyl-propanoate Openeye Name: (4-nitrophenyl) 2-[[2-[[2-(heptadecanoylamino)acetyl]amino]acetyl]amino]-3-phenyl-propanoate CAS Name: 2-[[1-oxo-2-[[1-oxo-2-(1-oxoheptadecylamino)ethyl]amino]ethyl]amino]-3-phenylpropanoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 2-[[2-[[2-(heptadecanoylamino)acetyl]amino]acetyl]amino]-3-phenylpropanoate Traditional Name: 2-[[2-[[2-(heptadecanoylamino)acetyl]amino]acetyl]amino]-3-phenyl-propionic acid (4-nitrophenyl) ester Formula: C36H52N4O7 MolecularWeight: 652.82068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H52N4O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-33(41)37-27-34(42)38-28-35(43)39-32(26-29-19-16-15-17-20-29)36(44)47-31-24-22-30(23-25-31)40(45)46/h15-17,19-20,22-25,32H,2-14,18,21,26-28H2,1H3,(H,37,41)(H,38,42)(H,39,43)