(2R,4S,5S)-5-azanyl-6-cyclohexyl-N-[(2S)-3-methyl-1-oxidanylidene-1-(pyridin-2-ylmethylamino)pentan-2-yl]-4-oxidanyl-2-propan-2-yl-hexanamide

Systemtic Name: (2R,4S,5S)-5-azanyl-6-cyclohexyl-N-[(2S)-3-methyl-1-oxidanylidene-1-(pyridin-2-ylmethylamino)pentan-2-yl]-4-oxidanyl-2-propan-2-yl-hexanamide Openeye Name: (2R,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-2-isopropyl-N-[(1S)-2-methyl-1-(2-pyridylmethylcarbamoyl)butyl]hexanamide CAS Name: (2R,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-N-[(2S)-3-methyl-1-oxo-1-(2-pyridinylmethylamino)pentan-2-yl]-2-propan-2-ylhexanamide IUPAC Name: (2R,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-N-[(2S)-3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)pentan-2-yl]-2-propan-2-ylhexanamide Traditional Name: (2R,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-2-isopropyl-N-[(1S)-2-methyl-1-(2-pyridylmethylcarbamoyl)butyl]hexanamide Formula: C27H46N4O3 MolecularWeight: 474.67914

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCC1=CC=CC=N1)NC(=O)C(CC(C(CC2CCCCC2)N)O)C(C)C

Isomeric SMILES

CCC(C)[C@@H](C(=O)NCC1=CC=CC=N1)NC(=O)[C@H](C[C@@H]([C@H](CC2CCCCC2)N)O)C(C)C

InChI

InChI=1S/C27H46N4O3/c1-5-19(4)25(27(34)30-17-21-13-9-10-14-29-21)31-26(33)22(18(2)3)16-24(32)23(28)15-20-11-7-6-8-12-20/h9-10,13-14,18-20,22-25,32H,5-8,11-12,15-17,28H2,1-4H3,(H,30,34)(H,31,33)/t19?,22-,23+,24+,25+/m1/s1