N-tert-butyl-2-[(2R,3S)-3-[[2-(methylsulfonylamino)-3-quinolin-2-ylsulfonyl-propanoyl]amino]-2-oxidanyl-4-phenyl-butyl]benzamide

Systemtic Name: N-tert-butyl-2-[(2R,3S)-3-[[2-(methylsulfonylamino)-3-quinolin-2-ylsulfonyl-propanoyl]amino]-2-oxidanyl-4-phenyl-butyl]benzamide Openeye Name: N-tert-butyl-2-[(2R,3S)-2-hydroxy-3-[[2-(methanesulfonamido)-3-(2-quinolylsulfonyl)propanoyl]amino]-4-phenyl-butyl]benzamide CAS Name: N-tert-butyl-2-[(2R,3S)-2-hydroxy-3-[[2-(methanesulfonamido)-1-oxo-3-(2-quinolinylsulfonyl)propyl]amino]-4-phenylbutyl]benzamide IUPAC Name: N-tert-butyl-2-[(2R,3S)-2-hydroxy-3-[[2-(methanesulfonamido)-3-quinolin-2-ylsulfonylpropanoyl]amino]-4-phenylbutyl]benzamide Traditional Name: N-tert-butyl-2-[(2R,3S)-2-hydroxy-3-[[2-(methanesulfonamido)-3-(2-quinolylsulfonyl)propanoyl]amino]-4-phenyl-butyl]benzamide Formula: C34H40N4O7S2 MolecularWeight: 680.834

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=CC=CC=C1CC(C(CC2=CC=CC=C2)NC(=O)C(CS(=O)(=O)C3=NC4=CC=CC=C4C=C3)NS(=O)(=O)C)O

Isomeric SMILES

CC(C)(C)NC(=O)C1=CC=CC=C1C[C@H]([C@H](CC2=CC=CC=C2)NC(=O)C(CS(=O)(=O)C3=NC4=CC=CC=C4C=C3)NS(=O)(=O)C)O

InChI

InChI=1S/C34H40N4O7S2/c1-34(2,3)37-32(40)26-16-10-8-15-25(26)21-30(39)28(20-23-12-6-5-7-13-23)36-33(41)29(38-46(4,42)43)22-47(44,45)31-19-18-24-14-9-11-17-27(24)35-31/h5-19,28-30,38-39H,20-22H2,1-4H3,(H,36,41)(H,37,40)/t28-,29?,30+/m0/s1