N-[(2S,3S,5R)-7-methyl-5-(methylcarbamoyl)-3-oxidanyl-1-phenyl-octan-2-yl]-2-oxidanylidene-1H-quinoline-3-carboxamide

Systemtic Name: N-[(2S,3S,5R)-7-methyl-5-(methylcarbamoyl)-3-oxidanyl-1-phenyl-octan-2-yl]-2-oxidanylidene-1H-quinoline-3-carboxamide Openeye Name: N-[(1S,2S,4R)-1-benzyl-2-hydroxy-6-methyl-4-(methylcarbamoyl)heptyl]-2-oxo-1H-quinoline-3-carboxamide CAS Name: N-[(2S,3S,5R)-3-hydroxy-7-methyl-5-(methylcarbamoyl)-1-phenyloctan-2-yl]-2-oxo-1H-quinoline-3-carboxamide IUPAC Name: N-[(2S,3S,5R)-3-hydroxy-7-methyl-5-(methylcarbamoyl)-1-phenyloctan-2-yl]-2-oxo-1H-quinoline-3-carboxamide Traditional Name: N-[(1S,2S,4R)-1-benzyl-2-hydroxy-6-methyl-4-(methylcarbamoyl)heptyl]-2-keto-1H-quinoline-3-carboxamide Formula: C27H33N3O4 MolecularWeight: 463.56862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(C(CC1=CC=CC=C1)NC(=O)C2=CC3=CC=CC=C3NC2=O)O)C(=O)NC

Isomeric SMILES

CC(C)C[C@H](C[C@@H]([C@H](CC1=CC=CC=C1)NC(=O)C2=CC3=CC=CC=C3NC2=O)O)C(=O)NC

InChI

InChI=1S/C27H33N3O4/c1-17(2)13-20(25(32)28-3)16-24(31)23(14-18-9-5-4-6-10-18)30-27(34)21-15-19-11-7-8-12-22(19)29-26(21)33/h4-12,15,17,20,23-24,31H,13-14,16H2,1-3H3,(H,28,32)(H,29,33)(H,30,34)/t20-,23+,24+/m1/s1