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

Systemtic Name: (2S)-2-[2-(4-methoxyphenyl)ethanoylamino]-N-[(5S)-5-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-6-oxidanyl-hexyl]-3-phenyl-propanamide Openeye Name: (2S)-N-[(5S)-6-hydroxy-5-[isobutyl(p-tolylsulfonyl)amino]hexyl]-2-[[2-(4-methoxyphenyl)acetyl]amino]-3-phenyl-propanamide CAS Name: (2S)-N-[(5S)-6-hydroxy-5-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexyl]-2-[[2-(4-methoxyphenyl)-1-oxoethyl]amino]-3-phenylpropanamide IUPAC Name: (2S)-N-[(5S)-6-hydroxy-5-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexyl]-2-[[2-(4-methoxyphenyl)acetyl]amino]-3-phenylpropanamide Traditional Name: (2S)-N-[(5S)-6-hydroxy-5-[isobutyl(tosyl)amino]hexyl]-2-[[2-(4-methoxyphenyl)acetyl]amino]-3-phenyl-propionamide Formula: C35H47N3O6S MolecularWeight: 637.82918

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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=CC=CC=C2)NC(=O)CC3=CC=C(C=C3)OC)CO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CC3=CC=C(C=C3)OC)CO

InChI

InChI=1S/C35H47N3O6S/c1-26(2)24-38(45(42,43)32-19-13-27(3)14-20-32)30(25-39)12-8-9-21-36-35(41)33(22-28-10-6-5-7-11-28)37-34(40)23-29-15-17-31(44-4)18-16-29/h5-7,10-11,13-20,26,30,33,39H,8-9,12,21-25H2,1-4H3,(H,36,41)(H,37,40)/t30-,33-/m0/s1