methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(pyren-1-ylmethylamino)propanoate

Systemtic Name: methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(pyren-1-ylmethylamino)propanoate Openeye Name: methyl 2-[bis(tert-butoxycarbonyl)amino]-3-(pyren-1-ylmethylamino)propanoate CAS Name: 2-[bis[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(1-pyrenylmethylamino)propanoic acid methyl ester IUPAC Name: methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(pyren-1-ylmethylamino)propanoate Traditional Name: 2-[bis(tert-butoxycarbonyl)amino]-3-(pyren-1-ylmethylamino)propionic acid methyl ester Formula: C31H36N2O6 MolecularWeight: 532.62734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C(CNCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)C(=O)OC)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N(C(CNCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)C(=O)OC)C(=O)OC(C)(C)C

InChI

InChI=1S/C31H36N2O6/c1-30(2,3)38-28(35)33(29(36)39-31(4,5)6)24(27(34)37-7)18-32-17-22-14-13-21-12-11-19-9-8-10-20-15-16-23(22)26(21)25(19)20/h8-16,24,32H,17-18H2,1-7H3