2,5-dimethyl-N-[(2S,3R)-5-[(4-methylphenyl)sulfonyl-propan-2-yl-amino]-3-oxidanyl-1-phenyl-pentan-2-yl]-3-oxidanyl-benzamide

Systemtic Name: 2,5-dimethyl-N-[(2S,3R)-5-[(4-methylphenyl)sulfonyl-propan-2-yl-amino]-3-oxidanyl-1-phenyl-pentan-2-yl]-3-oxidanyl-benzamide Openeye Name: N-[(1S,2R)-1-benzyl-2-hydroxy-4-[isopropyl(p-tolylsulfonyl)amino]butyl]-3-hydroxy-2,5-dimethyl-benzamide CAS Name: 3-hydroxy-N-[(2S,3R)-3-hydroxy-5-[(4-methylphenyl)sulfonyl-propan-2-ylamino]-1-phenylpentan-2-yl]-2,5-dimethylbenzamide IUPAC Name: 3-hydroxy-N-[(2S,3R)-3-hydroxy-5-[(4-methylphenyl)sulfonyl-propan-2-ylamino]-1-phenylpentan-2-yl]-2,5-dimethylbenzamide Traditional Name: N-[(1S,2R)-1-benzyl-2-hydroxy-4-[isopropyl(tosyl)amino]butyl]-3-hydroxy-2,5-dimethyl-benzamide Formula: C30H38N2O5S MolecularWeight: 538.69812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCC(C(CC2=CC=CC=C2)NC(=O)C3=CC(=CC(=C3C)O)C)O)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC[C@H]([C@H](CC2=CC=CC=C2)NC(=O)C3=CC(=CC(=C3C)O)C)O)C(C)C

InChI

InChI=1S/C30H38N2O5S/c1-20(2)32(38(36,37)25-13-11-21(3)12-14-25)16-15-28(33)27(19-24-9-7-6-8-10-24)31-30(35)26-17-22(4)18-29(34)23(26)5/h6-14,17-18,20,27-28,33-34H,15-16,19H2,1-5H3,(H,31,35)/t27-,28+/m0/s1