N-[(2S,3R)-4-[(3-hydroxyphenyl)sulfonyl-(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-2-methyl-3-oxidanyl-benzamide

Systemtic Name: N-[(2S,3R)-4-[(3-hydroxyphenyl)sulfonyl-(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-2-methyl-3-oxidanyl-benzamide Openeye Name: N-[(1S,2R)-1-benzyl-2-hydroxy-3-[(3-hydroxyphenyl)sulfonyl-isobutyl-amino]propyl]-3-hydroxy-2-methyl-benzamide CAS Name: 3-hydroxy-N-[(2S,3R)-3-hydroxy-4-[(3-hydroxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-methylbenzamide IUPAC Name: 3-hydroxy-N-[(2S,3R)-3-hydroxy-4-[(3-hydroxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-methylbenzamide Traditional Name: N-[(1S,2R)-1-benzyl-2-hydroxy-3-[(3-hydroxyphenyl)sulfonyl-isobutyl-amino]propyl]-3-hydroxy-2-methyl-benzamide Formula: C28H34N2O6S MolecularWeight: 526.64436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1O)C(=O)NC(CC2=CC=CC=C2)C(CN(CC(C)C)S(=O)(=O)C3=CC=CC(=C3)O)O

Isomeric SMILES

CC1=C(C=CC=C1O)C(=O)N[C@@H](CC2=CC=CC=C2)[C@@H](CN(CC(C)C)S(=O)(=O)C3=CC=CC(=C3)O)O

InChI

InChI=1S/C28H34N2O6S/c1-19(2)17-30(37(35,36)23-12-7-11-22(31)16-23)18-27(33)25(15-21-9-5-4-6-10-21)29-28(34)24-13-8-14-26(32)20(24)3/h4-14,16,19,25,27,31-33H,15,17-18H2,1-3H3,(H,29,34)/t25-,27+/m0/s1