cesium (2S)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexanoate

Systemtic Name: cesium (2S)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexanoate Openeye Name: cesium (2S)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[isobutyl(p-tolylsulfonyl)amino]hexanoate CAS Name: cesium (2S)-6-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexanoate IUPAC Name: cesium (2S)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexanoate Traditional Name: cesium (2S)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[isobutyl(tosyl)amino]hexanoate Formula: C32H37CsN2O6S MolecularWeight: 710.61643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C)C)C(CCCCNC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)[O-].[Cs+]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)[O-].[Cs+]

InChI

InChI=1S/C32H38N2O6S.Cs/c1-22(2)20-34(41(38,39)24-17-15-23(3)16-18-24)30(31(35)36)14-8-9-19-33-32(37)40-21-29-27-12-6-4-10-25(27)26-11-5-7-13-28(26)29;/h4-7,10-13,15-18,22,29-30H,8-9,14,19-21H2,1-3H3,(H,33,37)(H,35,36);/q;+1/p-1/t30-;/m0./s1