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

Systemtic Name: sodium (2S)-2-[cyclopropylmethyl-(4-methylphenyl)sulfonyl-amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate Openeye Name: sodium (2S)-2-[cyclopropylmethyl(p-tolylsulfonyl)amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate CAS Name: sodium (2S)-2-[cyclopropylmethyl-(4-methylphenyl)sulfonylamino]-6-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]hexanoate IUPAC Name: sodium (2S)-2-[cyclopropylmethyl-(4-methylphenyl)sulfonylamino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate Traditional Name: sodium (2S)-2-[cyclopropylmethyl(tosyl)amino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate Formula: C32H35N2NaO6S MolecularWeight: 598.68487

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC2CC2)C(CCCCNC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)[O-].[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC2CC2)[C@@H](CCCCNC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)[O-].[Na+]

InChI

InChI=1S/C32H36N2O6S.Na/c1-22-13-17-24(18-14-22)41(38,39)34(20-23-15-16-23)30(31(35)36)12-6-7-19-33-32(37)40-21-29-27-10-4-2-8-25(27)26-9-3-5-11-28(26)29;/h2-5,8-11,13-14,17-18,23,29-30H,6-7,12,15-16,19-21H2,1H3,(H,33,37)(H,35,36);/q;+1/p-1/t30-;/m0./s1