(3-anthracen-9-ylcarbonyloxy-2-oxidanylidene-propyl) anthracene-9-carboxylate; 2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid

Systemtic Name: (3-anthracen-9-ylcarbonyloxy-2-oxidanylidene-propyl) anthracene-9-carboxylate; 2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid Openeye Name: [3-(anthracene-9-carbonyloxy)-2-oxo-propyl] anthracene-9-carboxylate; 2-[[2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]propanoic acid CAS Name: 9-anthracenecarboxylic acid [3-[9-anthracenyl(oxo)methoxy]-2-oxopropyl] ester; 2-[[1-oxo-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]amino]propanoic acid IUPAC Name: [3-(anthracene-9-carbonyloxy)-2-oxopropyl] anthracene-9-carboxylate; 2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid Traditional Name: anthracene-9-carboxylic acid [3-(anthracene-9-carbonyloxy)-2-keto-propyl] ester; 2-[[2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]propionic acid Formula: C53H44N2O10 MolecularWeight: 868.92386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2.C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C(=O)OCC(=O)COC(=O)C4=C5C=CC=CC5=CC6=CC=CC=C64

Isomeric SMILES

CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2.C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C(=O)OCC(=O)COC(=O)C4=C5C=CC=CC5=CC6=CC=CC=C64

InChI

InChI=1S/C33H22O5.C20H22N2O5/c34-25(19-37-32(35)30-26-13-5-1-9-21(26)17-22-10-2-6-14-27(22)30)20-38-33(36)31-28-15-7-3-11-23(28)18-24-12-4-8-16-29(24)31;1-14(19(24)25)21-18(23)17(12-15-8-4-2-5-9-15)22-20(26)27-13-16-10-6-3-7-11-16/h1-18H,19-20H2;2-11,14,17H,12-13H2,1H3,(H,21,23)(H,22,26)(H,24,25)