methyl (2S)-6-(anthracen-9-ylcarbonylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate

Systemtic Name: methyl (2S)-6-(anthracen-9-ylcarbonylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate Openeye Name: methyl (2S)-6-(anthracene-9-carbonylamino)-2-(tert-butoxycarbonylamino)hexanoate CAS Name: (2S)-6-[[9-anthracenyl(oxo)methyl]amino]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl (2S)-6-(anthracene-9-carbonylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate Traditional Name: (2S)-6-(anthracene-9-carbonylamino)-2-(tert-butoxycarbonylamino)hexanoic acid methyl ester Formula: C27H32N2O5 MolecularWeight: 464.55338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCCCNC(=O)C1=C2C=CC=CC2=CC3=CC=CC=C31)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)C1=C2C=CC=CC2=CC3=CC=CC=C31)C(=O)OC

InChI

InChI=1S/C27H32N2O5/c1-27(2,3)34-26(32)29-22(25(31)33-4)15-9-10-16-28-24(30)23-20-13-7-5-11-18(20)17-19-12-6-8-14-21(19)23/h5-8,11-14,17,22H,9-10,15-16H2,1-4H3,(H,28,30)(H,29,32)/t22-/m0/s1