N-[4-[(2-azanyl-1,3-benzothiazol-6-yl)sulfonyl-(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-2-methyl-3-methylsulfonyl-propanamide

Systemtic Name: N-[4-[(2-azanyl-1,3-benzothiazol-6-yl)sulfonyl-(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-2-methyl-3-methylsulfonyl-propanamide Openeye Name: N-[3-[(2-amino-1,3-benzothiazol-6-yl)sulfonyl-isobutyl-amino]-1-benzyl-2-hydroxy-propyl]-2-methyl-3-methylsulfonyl-propanamide CAS Name: N-[4-[(2-amino-1,3-benzothiazol-6-yl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-methyl-3-methylsulfonylpropanamide IUPAC Name: N-[4-[(2-amino-1,3-benzothiazol-6-yl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-methyl-3-methylsulfonylpropanamide Traditional Name: N-[3-[(2-amino-1,3-benzothiazol-6-yl)sulfonyl-isobutyl-amino]-1-benzyl-2-hydroxy-propyl]-3-mesyl-2-methyl-propionamide Formula: C26H36N4O6S3 MolecularWeight: 596.78224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)C(C)CS(=O)(=O)C)O)S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)N

Isomeric SMILES

CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)C(C)CS(=O)(=O)C)O)S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)N

InChI

InChI=1S/C26H36N4O6S3/c1-17(2)14-30(39(35,36)20-10-11-21-24(13-20)37-26(27)29-21)15-23(31)22(12-19-8-6-5-7-9-19)28-25(32)18(3)16-38(4,33)34/h5-11,13,17-18,22-23,31H,12,14-16H2,1-4H3,(H2,27,29)(H,28,32)