(2S)-N-[(5S)-5-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-oxidanyl-hexyl]-3-(1H-indol-3-yl)-2-(thiophen-2-ylsulfonylamino)propanamide

Systemtic Name: (2S)-N-[(5S)-5-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-oxidanyl-hexyl]-3-(1H-indol-3-yl)-2-(thiophen-2-ylsulfonylamino)propanamide Openeye Name: (2S)-N-[(5S)-5-[(4-aminophenyl)sulfonyl-isobutyl-amino]-6-hydroxy-hexyl]-3-(1H-indol-3-yl)-2-(2-thienylsulfonylamino)propanamide CAS Name: (2S)-N-[(5S)-5-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-hydroxyhexyl]-3-(1H-indol-3-yl)-2-(thiophen-2-ylsulfonylamino)propanamide IUPAC Name: (2S)-N-[(5S)-5-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-hydroxyhexyl]-3-(1H-indol-3-yl)-2-(thiophen-2-ylsulfonylamino)propanamide Traditional Name: (2S)-N-[(5S)-6-hydroxy-5-[isobutyl(sulfanilyl)amino]hexyl]-3-(1H-indol-3-yl)-2-(2-thienylsulfonylamino)propionamide Formula: C31H41N5O6S3 MolecularWeight: 675.88214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(C(CCCCNC(=O)C(CC1=CNC2=CC=CC=C21)NS(=O)(=O)C3=CC=CS3)CO)S(=O)(=O)C4=CC=C(C=C4)N

Isomeric SMILES

CC(C)CN([C@@H](CCCCNC(=O)[C@H](CC1=CNC2=CC=CC=C21)NS(=O)(=O)C3=CC=CS3)CO)S(=O)(=O)C4=CC=C(C=C4)N

InChI

InChI=1S/C31H41N5O6S3/c1-22(2)20-36(45(41,42)26-14-12-24(32)13-15-26)25(21-37)8-5-6-16-33-31(38)29(35-44(39,40)30-11-7-17-43-30)18-23-19-34-28-10-4-3-9-27(23)28/h3-4,7,9-15,17,19,22,25,29,34-35,37H,5-6,8,16,18,20-21,32H2,1-2H3,(H,33,38)/t25-,29-/m0/s1