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

Systemtic Name: 6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]hexanoic acid Openeye Name: 2-[benzyl(p-tolylsulfonyl)amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid CAS Name: 6-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-2-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]hexanoic acid IUPAC Name: 2-[benzyl-(4-methylphenyl)sulfonylamino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid Traditional Name: 2-[benzyl(tosyl)amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid Formula: C35H36N2O6S MolecularWeight: 612.73514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C(CCCCNC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C(CCCCNC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)O

InChI

InChI=1S/C35H36N2O6S/c1-25-18-20-27(21-19-25)44(41,42)37(23-26-11-3-2-4-12-26)33(34(38)39)17-9-10-22-36-35(40)43-24-32-30-15-7-5-13-28(30)29-14-6-8-16-31(29)32/h2-8,11-16,18-21,32-33H,9-10,17,22-24H2,1H3,(H,36,40)(H,38,39)