methyl (E)-4-[[4-[(2-methylpropan-2-yl)oxycarbonyl-phenylmethoxycarbonyl-amino]anthracen-1-yl]-phenethyl-amino]but-2-enoate

Systemtic Name: methyl (E)-4-[[4-[(2-methylpropan-2-yl)oxycarbonyl-phenylmethoxycarbonyl-amino]anthracen-1-yl]-phenethyl-amino]but-2-enoate Openeye Name: methyl (E)-4-[[4-[benzyloxycarbonyl(tert-butoxycarbonyl)amino]-1-anthryl]-phenethyl-amino]but-2-enoate CAS Name: (E)-4-[[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]-phenylmethoxycarbonylamino]-1-anthracenyl]-phenethylamino]-2-butenoic acid methyl ester IUPAC Name: methyl (E)-4-[[4-[(2-methylpropan-2-yl)oxycarbonyl-phenylmethoxycarbonylamino]anthracen-1-yl]-phenethylamino]but-2-enoate Traditional Name: (E)-4-[[4-[tert-butoxycarbonyl(carbobenzoxy)amino]-1-anthryl]-phenethyl-amino]but-2-enoic acid methyl ester Formula: C40H40N2O6 MolecularWeight: 644.7554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C1=CC=C(C2=CC3=CC=CC=C3C=C12)N(CCC4=CC=CC=C4)CC=CC(=O)OC)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)N(C1=CC=C(C2=CC3=CC=CC=C3C=C12)N(CCC4=CC=CC=C4)C/C=C/C(=O)OC)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C40H40N2O6/c1-40(2,3)48-39(45)42(38(44)47-28-30-16-9-6-10-17-30)36-22-21-35(33-26-31-18-11-12-19-32(31)27-34(33)36)41(24-13-20-37(43)46-4)25-23-29-14-7-5-8-15-29/h5-22,26-27H,23-25,28H2,1-4H3/b20-13+