(2S)-2-azanyl-3-(1H-indol-3-yl)-N-[(5S)-5-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-6-oxidanyl-hexyl]propanamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: (2S)-2-azanyl-3-(1H-indol-3-yl)-N-[(5S)-5-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-6-oxidanyl-hexyl]propanamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: (2S)-2-amino-N-[(5S)-6-hydroxy-5-[isobutyl(p-tolylsulfonyl)amino]hexyl]-3-(1H-indol-3-yl)propanamide; 2,2,2-trifluoroacetic acid CAS Name: (2S)-2-amino-N-[(5S)-6-hydroxy-5-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexyl]-3-(1H-indol-3-yl)propanamide; 2,2,2-trifluoroacetic acid IUPAC Name: (2S)-2-amino-N-[(5S)-6-hydroxy-5-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexyl]-3-(1H-indol-3-yl)propanamide; 2,2,2-trifluoroacetic acid Traditional Name: (2S)-2-amino-N-[(5S)-6-hydroxy-5-[isobutyl(tosyl)amino]hexyl]-3-(1H-indol-3-yl)propionamide; 2,2,2-trifluoroacetic acid Formula: C30H41F3N4O6S MolecularWeight: 642.72995

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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)N)CO.C(=O)(C(F)(F)F)O

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)N)CO.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C28H40N4O4S.C2HF3O2/c1-20(2)18-32(37(35,36)24-13-11-21(3)12-14-24)23(19-33)8-6-7-15-30-28(34)26(29)16-22-17-31-27-10-5-4-9-25(22)27;3-2(4,5)1(6)7/h4-5,9-14,17,20,23,26,31,33H,6-8,15-16,18-19,29H2,1-3H3,(H,30,34);(H,6,7)/t23-,26-;/m0./s1