methyl (2S)-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-6-(2-pyridin-2-ylethylcarbamoylamino)hexanoate

Systemtic Name: methyl (2S)-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-6-(2-pyridin-2-ylethylcarbamoylamino)hexanoate Openeye Name: methyl (2S)-2-[isobutyl(p-tolylsulfonyl)amino]-6-[2-(2-pyridyl)ethylcarbamoylamino]hexanoate CAS Name: (2S)-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-6-[[oxo-[2-(2-pyridinyl)ethylamino]methyl]amino]hexanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-6-(2-pyridin-2-ylethylcarbamoylamino)hexanoate Traditional Name: (2S)-2-[isobutyl(tosyl)amino]-6-[2-(2-pyridyl)ethylcarbamoylamino]hexanoic acid methyl ester Formula: C26H38N4O5S MolecularWeight: 518.66872

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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)NCCC2=CC=CC=N2)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)NCCC2=CC=CC=N2)C(=O)OC

InChI

InChI=1S/C26H38N4O5S/c1-20(2)19-30(36(33,34)23-13-11-21(3)12-14-23)24(25(31)35-4)10-6-8-17-28-26(32)29-18-15-22-9-5-7-16-27-22/h5,7,9,11-14,16,20,24H,6,8,10,15,17-19H2,1-4H3,(H2,28,29,32)/t24-/m0/s1