potassium (2S)-6-[3-(2,3-dimethoxyphenyl)propanoylamino]-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexanoate

Systemtic Name: potassium (2S)-6-[3-(2,3-dimethoxyphenyl)propanoylamino]-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexanoate Openeye Name: potassium (2S)-6-[3-(2,3-dimethoxyphenyl)propanoylamino]-2-[isobutyl(p-tolylsulfonyl)amino]hexanoate CAS Name: potassium (2S)-6-[[3-(2,3-dimethoxyphenyl)-1-oxopropyl]amino]-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexanoate IUPAC Name: potassium (2S)-6-[3-(2,3-dimethoxyphenyl)propanoylamino]-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexanoate Traditional Name: potassium (2S)-6-[3-(2,3-dimethoxyphenyl)propanoylamino]-2-[isobutyl(tosyl)amino]hexanoate Formula: C28H39KN2O7S MolecularWeight: 586.78176

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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)CCC2=C(C(=CC=C2)OC)OC)C(=O)[O-].[K+]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)CCC2=C(C(=CC=C2)OC)OC)C(=O)[O-].[K+]

InChI

InChI=1S/C28H40N2O7S.K/c1-20(2)19-30(38(34,35)23-15-12-21(3)13-16-23)24(28(32)33)10-6-7-18-29-26(31)17-14-22-9-8-11-25(36-4)27(22)37-5;/h8-9,11-13,15-16,20,24H,6-7,10,14,17-19H2,1-5H3,(H,29,31)(H,32,33);/q;+1/p-1/t24-;/m0./s1