N-[(2S,3S,5S)-6-azanyl-5-cyclohexyl-3-oxidanyl-6-oxidanylidene-1-phenyl-hexan-2-yl]quinoxaline-2-carboxamide

Systemtic Name: N-[(2S,3S,5S)-6-azanyl-5-cyclohexyl-3-oxidanyl-6-oxidanylidene-1-phenyl-hexan-2-yl]quinoxaline-2-carboxamide Openeye Name: N-[(1S,2S,4S)-5-amino-1-benzyl-4-cyclohexyl-2-hydroxy-5-oxo-pentyl]quinoxaline-2-carboxamide CAS Name: N-[(2S,3S,5S)-6-amino-5-cyclohexyl-3-hydroxy-6-oxo-1-phenylhexan-2-yl]-2-quinoxalinecarboxamide IUPAC Name: N-[(2S,3S,5S)-6-amino-5-cyclohexyl-3-hydroxy-6-oxo-1-phenylhexan-2-yl]quinoxaline-2-carboxamide Traditional Name: N-[(1S,2S,4S)-5-amino-1-benzyl-4-cyclohexyl-2-hydroxy-5-keto-pentyl]quinoxaline-2-carboxamide Formula: C27H32N4O3 MolecularWeight: 460.56798

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(CC(C(CC2=CC=CC=C2)NC(=O)C3=NC4=CC=CC=C4N=C3)O)C(=O)N

Isomeric SMILES

C1CCC(CC1)[C@H](C[C@@H]([C@H](CC2=CC=CC=C2)NC(=O)C3=NC4=CC=CC=C4N=C3)O)C(=O)N

InChI

InChI=1S/C27H32N4O3/c28-26(33)20(19-11-5-2-6-12-19)16-25(32)23(15-18-9-3-1-4-10-18)31-27(34)24-17-29-21-13-7-8-14-22(21)30-24/h1,3-4,7-10,13-14,17,19-20,23,25,32H,2,5-6,11-12,15-16H2,(H2,28,33)(H,31,34)/t20-,23-,25-/m0/s1