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

Systemtic Name: N-[(2S,3R)-4-[1,3-benzothiazol-6-ylsulfonyl(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-3-oxidanyl-benzamide Openeye Name: N-[(1S,2R)-3-[1,3-benzothiazol-6-ylsulfonyl(isobutyl)amino]-1-benzyl-2-hydroxy-propyl]-3-hydroxy-benzamide CAS Name: N-[(2S,3R)-4-[1,3-benzothiazol-6-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-hydroxybenzamide IUPAC Name: N-[(2S,3R)-4-[1,3-benzothiazol-6-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-hydroxybenzamide Traditional Name: N-[(1S,2R)-3-[1,3-benzothiazol-6-ylsulfonyl(isobutyl)amino]-1-benzyl-2-hydroxy-propyl]-3-hydroxy-benzamide Formula: C28H31N3O5S2 MolecularWeight: 553.69284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)C2=CC(=CC=C2)O)O)S(=O)(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)C2=CC(=CC=C2)O)O)S(=O)(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C28H31N3O5S2/c1-19(2)16-31(38(35,36)23-11-12-24-27(15-23)37-18-29-24)17-26(33)25(13-20-7-4-3-5-8-20)30-28(34)21-9-6-10-22(32)14-21/h3-12,14-15,18-19,25-26,32-33H,13,16-17H2,1-2H3,(H,30,34)/t25-,26+/m0/s1