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

Systemtic Name: N-[4-[2-methylpropyl-[4-(phenylsulfonyl)thiophen-2-yl]sulfonyl-amino]-3-oxidanyl-1-phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide Openeye Name: N-[3-[[4-(benzenesulfonyl)-2-thienyl]sulfonyl-isobutyl-amino]-1-benzyl-2-hydroxy-propyl]-2-(quinoline-2-carbonylamino)butanediamide CAS Name: N-[4-[[4-(benzenesulfonyl)-2-thiophenyl]sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-[[oxo(2-quinolinyl)methyl]amino]butanediamide IUPAC Name: N-[4-[[4-(benzenesulfonyl)thiophen-2-yl]sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-(quinoline-2-carbonylamino)butanediamide Traditional Name: N-[1-benzyl-3-[(4-besyl-2-thienyl)sulfonyl-isobutyl-amino]-2-hydroxy-propyl]-2-(quinaldoylamino)succinamide Formula: C38H41N5O8S3 MolecularWeight: 791.95584

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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(=CS4)S(=O)(=O)C5=CC=CC=C5

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(=CS4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C38H41N5O8S3/c1-25(2)22-43(54(50,51)36-20-29(24-52-36)53(48,49)28-14-7-4-8-15-28)23-34(44)32(19-26-11-5-3-6-12-26)41-38(47)33(21-35(39)45)42-37(46)31-18-17-27-13-9-10-16-30(27)40-31/h3-18,20,24-25,32-34,44H,19,21-23H2,1-2H3,(H2,39,45)(H,41,47)(H,42,46)