N-[(2S,3S)-4-[[4-(2-tert-butylpyrazol-3-yl)phenyl]sulfonyl-(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-2-(2,6-dimethylphenoxy)ethanamide

Systemtic Name: N-[(2S,3S)-4-[[4-(2-tert-butylpyrazol-3-yl)phenyl]sulfonyl-(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-2-(2,6-dimethylphenoxy)ethanamide Openeye Name: N-[(1S,2S)-1-benzyl-3-[[4-(2-tert-butylpyrazol-3-yl)phenyl]sulfonyl-isobutyl-amino]-2-hydroxy-propyl]-2-(2,6-dimethylphenoxy)acetamide CAS Name: N-[(2S,3S)-4-[[4-(2-tert-butyl-3-pyrazolyl)phenyl]sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-(2,6-dimethylphenoxy)acetamide IUPAC Name: N-[(2S,3S)-4-[[4-(2-tert-butylpyrazol-3-yl)phenyl]sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-(2,6-dimethylphenoxy)acetamide Traditional Name: N-[(1S,2S)-1-benzyl-3-[[4-(2-tert-butylpyrazol-3-yl)phenyl]sulfonyl-isobutyl-amino]-2-hydroxy-propyl]-2-(2,6-dimethylphenoxy)acetamide Formula: C37H48N4O5S MolecularWeight: 660.86582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCC(=O)NC(CC2=CC=CC=C2)C(CN(CC(C)C)S(=O)(=O)C3=CC=C(C=C3)C4=CC=NN4C(C)(C)C)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCC(=O)N[C@@H](CC2=CC=CC=C2)[C@H](CN(CC(C)C)S(=O)(=O)C3=CC=C(C=C3)C4=CC=NN4C(C)(C)C)O

InChI

InChI=1S/C37H48N4O5S/c1-26(2)23-40(47(44,45)31-18-16-30(17-19-31)33-20-21-38-41(33)37(5,6)7)24-34(42)32(22-29-14-9-8-10-15-29)39-35(43)25-46-36-27(3)12-11-13-28(36)4/h8-21,26,32,34,42H,22-25H2,1-7H3,(H,39,43)/t32-,34-/m0/s1