N-[4-[methyl(methylsulfonyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide

Systemtic Name: N-[4-[methyl(methylsulfonyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide Openeye Name: N-[1-benzyl-2-hydroxy-3-[methyl(methylsulfonyl)amino]propyl]-2-(quinoline-2-carbonylamino)butanediamide CAS Name: N-[3-hydroxy-4-[methyl(methylsulfonyl)amino]-1-phenylbutan-2-yl]-2-[[oxo(2-quinolinyl)methyl]amino]butanediamide IUPAC Name: N-[3-hydroxy-4-[methyl(methylsulfonyl)amino]-1-phenylbutan-2-yl]-2-(quinoline-2-carbonylamino)butanediamide Traditional Name: N-[1-benzyl-2-hydroxy-3-[mesyl(methyl)amino]propyl]-2-(quinaldoylamino)succinamide Formula: C26H31N5O6S MolecularWeight: 541.61924

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Descriptors Computed from Structure

Canonical SMILES:

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)C

Isomeric SMILES

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)C

InChI

InChI=1S/C26H31N5O6S/c1-31(38(2,36)37)16-23(32)21(14-17-8-4-3-5-9-17)29-26(35)22(15-24(27)33)30-25(34)20-13-12-18-10-6-7-11-19(18)28-20/h3-13,21-23,32H,14-16H2,1-2H3,(H2,27,33)(H,29,35)(H,30,34)