N-[4-[2-methylpropyl-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-amino]-3-oxidanyl-1-phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide

Systemtic Name: N-[4-[2-methylpropyl-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-amino]-3-oxidanyl-1-phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide Openeye Name: N-[1-benzyl-2-hydroxy-3-[isobutyl-[[5-(2-pyridyl)-2-thienyl]sulfonyl]amino]propyl]-2-(quinoline-2-carbonylamino)butanediamide CAS Name: N-[3-hydroxy-4-[2-methylpropyl-[[5-(2-pyridinyl)-2-thiophenyl]sulfonyl]amino]-1-phenylbutan-2-yl]-2-[[oxo(2-quinolinyl)methyl]amino]butanediamide IUPAC Name: N-[3-hydroxy-4-[2-methylpropyl-(5-pyridin-2-ylthiophen-2-yl)sulfonylamino]-1-phenylbutan-2-yl]-2-(quinoline-2-carbonylamino)butanediamide Traditional Name: N-[1-benzyl-2-hydroxy-3-[isobutyl-[[5-(2-pyridyl)-2-thienyl]sulfonyl]amino]propyl]-2-(quinaldoylamino)succinamide Formula: C37H40N6O6S2 MolecularWeight: 728.8801

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)C(CC(=O)N)NC(=O)C2=NC3=CC=CC=C3C=C2)O)S(=O)(=O)C4=CC=C(S4)C5=CC=CC=N5

Isomeric SMILES

CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)C(CC(=O)N)NC(=O)C2=NC3=CC=CC=C3C=C2)O)S(=O)(=O)C4=CC=C(S4)C5=CC=CC=N5

InChI

InChI=1S/C37H40N6O6S2/c1-24(2)22-43(51(48,49)35-18-17-33(50-35)28-14-8-9-19-39-28)23-32(44)30(20-25-10-4-3-5-11-25)41-37(47)31(21-34(38)45)42-36(46)29-16-15-26-12-6-7-13-27(26)40-29/h3-19,24,30-32,44H,20-23H2,1-2H3,(H2,38,45)(H,41,47)(H,42,46)