2-azanyl-N-[1-[3,5-bis(fluoranyl)phenyl]-4-(3-methylbutylamino)-3-oxidanyl-butan-2-yl]propanamide dihydrochloride

Systemtic Name: 2-azanyl-N-[1-[3,5-bis(fluoranyl)phenyl]-4-(3-methylbutylamino)-3-oxidanyl-butan-2-yl]propanamide dihydrochloride Openeye Name: 2-amino-N-[1-[(3,5-difluorophenyl)methyl]-2-hydroxy-3-(isopentylamino)propyl]propanamide dihydrochloride CAS Name: 2-amino-N-[1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methylbutylamino)butan-2-yl]propanamide dihydrochloride IUPAC Name: 2-amino-N-[1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methylbutylamino)butan-2-yl]propanamide dihydrochloride Traditional Name: 2-amino-N-[1-(3,5-difluorobenzyl)-2-hydroxy-3-(isoamylamino)propyl]propionamide dihydrochloride Formula: C18H31Cl2F2N3O2 MolecularWeight: 430.360446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNCC(C(CC1=CC(=CC(=C1)F)F)NC(=O)C(C)N)O.Cl.Cl

Isomeric SMILES

CC(C)CCNCC(C(CC1=CC(=CC(=C1)F)F)NC(=O)C(C)N)O.Cl.Cl

InChI

InChI=1S/C18H29F2N3O2.2ClH/c1-11(2)4-5-22-10-17(24)16(23-18(25)12(3)21)8-13-6-14(19)9-15(20)7-13;;/h6-7,9,11-12,16-17,22,24H,4-5,8,10,21H2,1-3H3,(H,23,25);2*1H