tert-butyl 6-azanyl-2-[[2-(4-methylphenyl)sulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-3-yl]carbonylamino]hexanoate

Systemtic Name: tert-butyl 6-azanyl-2-[[2-(4-methylphenyl)sulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-3-yl]carbonylamino]hexanoate Openeye Name: tert-butyl 6-amino-2-[[2-(p-tolylsulfonyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carbonyl]amino]hexanoate CAS Name: 6-amino-2-[[[2-(4-methylphenyl)sulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-3-yl]-oxomethyl]amino]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl 6-amino-2-[[2-(4-methylphenyl)sulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carbonyl]amino]hexanoate Traditional Name: 6-amino-2-[(2-tosyl-1,3,4,9-tetrahydro-$b-carboline-3-carbonyl)amino]hexanoic acid tert-butyl ester Formula: C29H38N4O5S MolecularWeight: 554.70082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=C(CC2C(=O)NC(CCCCN)C(=O)OC(C)(C)C)C4=CC=CC=C4N3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=C(CC2C(=O)NC(CCCCN)C(=O)OC(C)(C)C)C4=CC=CC=C4N3

InChI

InChI=1S/C29H38N4O5S/c1-19-12-14-20(15-13-19)39(36,37)33-18-25-22(21-9-5-6-10-23(21)31-25)17-26(33)27(34)32-24(11-7-8-16-30)28(35)38-29(2,3)4/h5-6,9-10,12-15,24,26,31H,7-8,11,16-18,30H2,1-4H3,(H,32,34)