propan-2-yl 3-[2-(1-adamantylcarbonylamino)ethanoylamino]-3-(2-nitrophenyl)propanoate

Systemtic Name: propan-2-yl 3-[2-(1-adamantylcarbonylamino)ethanoylamino]-3-(2-nitrophenyl)propanoate Openeye Name: isopropyl 3-[[2-(adamantane-1-carbonylamino)acetyl]amino]-3-(2-nitrophenyl)propanoate CAS Name: 3-[[2-[[1-adamantyl(oxo)methyl]amino]-1-oxoethyl]amino]-3-(2-nitrophenyl)propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[[2-(adamantane-1-carbonylamino)acetyl]amino]-3-(2-nitrophenyl)propanoate Traditional Name: 3-[[2-(adamantane-1-carbonylamino)acetyl]amino]-3-(2-nitrophenyl)propionic acid isopropyl ester Formula: C25H33N3O6 MolecularWeight: 471.54602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC(C1=CC=CC=C1[N+](=O)[O-])NC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)OC(=O)CC(C1=CC=CC=C1[N+](=O)[O-])NC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C25H33N3O6/c1-15(2)34-23(30)10-20(19-5-3-4-6-21(19)28(32)33)27-22(29)14-26-24(31)25-11-16-7-17(12-25)9-18(8-16)13-25/h3-6,15-18,20H,7-14H2,1-2H3,(H,26,31)(H,27,29)