tert-butyl (3S)-3-[[(5S)-5-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-6-oxidanyl-hexyl]carbamoyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate

Systemtic Name: tert-butyl (3S)-3-[[(5S)-5-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-6-oxidanyl-hexyl]carbamoyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate Openeye Name: tert-butyl (3S)-3-[[(5S)-6-hydroxy-5-[isobutyl(p-tolylsulfonyl)amino]hexyl]carbamoyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate CAS Name: (3S)-3-[[[(5S)-6-hydroxy-5-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexyl]amino]-oxomethyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-[[(5S)-6-hydroxy-5-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexyl]carbamoyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate Traditional Name: (3S)-3-[[(5S)-6-hydroxy-5-[isobutyl(tosyl)amino]hexyl]carbamoyl]-1,3,4,9-tetrahydro-$b-carboline-2-carboxylic acid tert-butyl ester Formula: C34H48N4O6S MolecularWeight: 640.83312

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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)C2CC3=C(CN2C(=O)OC(C)(C)C)NC4=CC=CC=C34)CO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)[C@@H]2CC3=C(CN2C(=O)OC(C)(C)C)NC4=CC=CC=C34)CO

InChI

InChI=1S/C34H48N4O6S/c1-23(2)20-38(45(42,43)26-16-14-24(3)15-17-26)25(22-39)11-9-10-18-35-32(40)31-19-28-27-12-7-8-13-29(27)36-30(28)21-37(31)33(41)44-34(4,5)6/h7-8,12-17,23,25,31,36,39H,9-11,18-22H2,1-6H3,(H,35,40)/t25-,31-/m0/s1