N-[(2S,3R)-4-[1,3-benzothiazol-6-ylsulfonyl(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-2-(2,6-dimethylphenoxy)ethanamide

Systemtic Name: N-[(2S,3R)-4-[1,3-benzothiazol-6-ylsulfonyl(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-2-(2,6-dimethylphenoxy)ethanamide Openeye Name: N-[(1S,2R)-3-[1,3-benzothiazol-6-ylsulfonyl(isobutyl)amino]-1-benzyl-2-hydroxy-propyl]-2-(2,6-dimethylphenoxy)acetamide CAS Name: N-[(2S,3R)-4-[1,3-benzothiazol-6-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-(2,6-dimethylphenoxy)acetamide IUPAC Name: N-[(2S,3R)-4-[1,3-benzothiazol-6-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-(2,6-dimethylphenoxy)acetamide Traditional Name: N-[(1S,2R)-3-[1,3-benzothiazol-6-ylsulfonyl(isobutyl)amino]-1-benzyl-2-hydroxy-propyl]-2-(2,6-dimethylphenoxy)acetamide Formula: C31H37N3O5S2 MolecularWeight: 595.77258

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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=CC4=C(C=C3)N=CS4)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=CC4=C(C=C3)N=CS4)O

InChI

InChI=1S/C31H37N3O5S2/c1-21(2)17-34(41(37,38)25-13-14-26-29(16-25)40-20-32-26)18-28(35)27(15-24-11-6-5-7-12-24)33-30(36)19-39-31-22(3)9-8-10-23(31)4/h5-14,16,20-21,27-28,35H,15,17-19H2,1-4H3,(H,33,36)/t27-,28+/m0/s1