N-[(2S)-3-(1H-indol-3-yl)-1-[[(5S)-5-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-6-oxidanyl-hexyl]amino]-1-oxidanylidene-propan-2-yl]morpholine-4-carboxamide

Systemtic Name: N-[(2S)-3-(1H-indol-3-yl)-1-[[(5S)-5-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-6-oxidanyl-hexyl]amino]-1-oxidanylidene-propan-2-yl]morpholine-4-carboxamide Openeye Name: N-[(1S)-2-[[(5S)-6-hydroxy-5-[isobutyl(p-tolylsulfonyl)amino]hexyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]morpholine-4-carboxamide CAS Name: N-[(2S)-1-[[(5S)-6-hydroxy-5-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-morpholinecarboxamide IUPAC Name: N-[(2S)-1-[[(5S)-6-hydroxy-5-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]morpholine-4-carboxamide Traditional Name: N-[(1S)-2-[[(5S)-6-hydroxy-5-[isobutyl(tosyl)amino]hexyl]amino]-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]morpholine-4-carboxamide Formula: C33H47N5O6S MolecularWeight: 641.82118

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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)C(CC2=CNC3=CC=CC=C32)NC(=O)N4CCOCC4)CO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)N4CCOCC4)CO

InChI

InChI=1S/C33H47N5O6S/c1-24(2)22-38(45(42,43)28-13-11-25(3)12-14-28)27(23-39)8-6-7-15-34-32(40)31(36-33(41)37-16-18-44-19-17-37)20-26-21-35-30-10-5-4-9-29(26)30/h4-5,9-14,21,24,27,31,35,39H,6-8,15-20,22-23H2,1-3H3,(H,34,40)(H,36,41)/t27-,31-/m0/s1