(2S)-3-(1H-indol-3-yl)-2-[2-(4-methoxyphenyl)ethanoylamino]-N-[(5S)-5-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-6-oxidanyl-hexyl]propanamide

Systemtic Name: (2S)-3-(1H-indol-3-yl)-2-[2-(4-methoxyphenyl)ethanoylamino]-N-[(5S)-5-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-6-oxidanyl-hexyl]propanamide Openeye Name: (2S)-N-[(5S)-6-hydroxy-5-[isobutyl(p-tolylsulfonyl)amino]hexyl]-3-(1H-indol-3-yl)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide CAS Name: (2S)-N-[(5S)-6-hydroxy-5-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexyl]-3-(1H-indol-3-yl)-2-[[2-(4-methoxyphenyl)-1-oxoethyl]amino]propanamide IUPAC Name: (2S)-N-[(5S)-6-hydroxy-5-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexyl]-3-(1H-indol-3-yl)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide Traditional Name: (2S)-N-[(5S)-6-hydroxy-5-[isobutyl(tosyl)amino]hexyl]-3-(1H-indol-3-yl)-2-[[2-(4-methoxyphenyl)acetyl]amino]propionamide Formula: C37H48N4O6S MolecularWeight: 676.86522

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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)CC4=CC=C(C=C4)OC)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)CC4=CC=C(C=C4)OC)CO

InChI

InChI=1S/C37H48N4O6S/c1-26(2)24-41(48(45,46)32-18-12-27(3)13-19-32)30(25-42)9-7-8-20-38-37(44)35(22-29-23-39-34-11-6-5-10-33(29)34)40-36(43)21-28-14-16-31(47-4)17-15-28/h5-6,10-19,23,26,30,35,39,42H,7-9,20-22,24-25H2,1-4H3,(H,38,44)(H,40,43)/t30-,35-/m0/s1