N-[(2S,3S,5R)-5-aminocarbonyl-9-methyl-3-oxidanyl-1-phenyl-decan-2-yl]quinoxaline-2-carboxamide

Systemtic Name: N-[(2S,3S,5R)-5-aminocarbonyl-9-methyl-3-oxidanyl-1-phenyl-decan-2-yl]quinoxaline-2-carboxamide Openeye Name: N-[(1S,2S,4R)-1-benzyl-4-carbamoyl-2-hydroxy-8-methyl-nonyl]quinoxaline-2-carboxamide CAS Name: N-[(2S,3S,5R)-5-carbamoyl-3-hydroxy-9-methyl-1-phenyldecan-2-yl]-2-quinoxalinecarboxamide IUPAC Name: N-[(2S,3S,5R)-5-carbamoyl-3-hydroxy-9-methyl-1-phenyldecan-2-yl]quinoxaline-2-carboxamide Traditional Name: N-[(1S,2S,4R)-1-benzyl-4-carbamoyl-2-hydroxy-8-methyl-nonyl]quinoxaline-2-carboxamide Formula: C27H34N4O3 MolecularWeight: 462.58386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(CC(C(CC1=CC=CC=C1)NC(=O)C2=NC3=CC=CC=C3N=C2)O)C(=O)N

Isomeric SMILES

CC(C)CCC[C@H](C[C@@H]([C@H](CC1=CC=CC=C1)NC(=O)C2=NC3=CC=CC=C3N=C2)O)C(=O)N

InChI

InChI=1S/C27H34N4O3/c1-18(2)9-8-12-20(26(28)33)16-25(32)23(15-19-10-4-3-5-11-19)31-27(34)24-17-29-21-13-6-7-14-22(21)30-24/h3-7,10-11,13-14,17-18,20,23,25,32H,8-9,12,15-16H2,1-2H3,(H2,28,33)(H,31,34)/t20-,23+,25+/m1/s1