(2S)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[2-methylbutyl-(4-methylphenyl)sulfonyl-amino]hexanoic acid

Systemtic Name: (2S)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[2-methylbutyl-(4-methylphenyl)sulfonyl-amino]hexanoic acid Openeye Name: (2S)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[2-methylbutyl(p-tolylsulfonyl)amino]hexanoic acid CAS Name: (2S)-6-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-2-[2-methylbutyl-(4-methylphenyl)sulfonylamino]hexanoic acid IUPAC Name: (2S)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[2-methylbutyl-(4-methylphenyl)sulfonylamino]hexanoic acid Traditional Name: (2S)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[2-methylbutyl(tosyl)amino]hexanoic acid Formula: C33H40N2O6S MolecularWeight: 592.7455

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CN(C(CCCCNC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)C(=O)O)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCC(C)CN([C@@H](CCCCNC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)C(=O)O)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C33H40N2O6S/c1-4-23(2)21-35(42(39,40)25-18-16-24(3)17-19-25)31(32(36)37)15-9-10-20-34-33(38)41-22-30-28-13-7-5-11-26(28)27-12-6-8-14-29(27)30/h5-8,11-14,16-19,23,30-31H,4,9-10,15,20-22H2,1-3H3,(H,34,38)(H,36,37)/t23?,31-/m0/s1