Phosphonic acid, [(3S)-3-amino-4-[(3-hexylphenyl)amino]-4-oxobutyl]-, mono(trifluoroacetate)

CAS Registry Number®

909725-64-0

CAS Name

Phosphonic acid, [(3S)-3-amino-4-[(3-hexylphenyl)amino]-4-oxobutyl]-, mono(trifluoroacetate)

Molecular Formula

C16H27N2O4P.C2HF3O2

Cite this Page

Phosphonic acid, [(3S)-3-amino-4-[(3-hexylphenyl)amino]-4-oxobutyl]-, mono(trifluoroacetate).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=909725-64-0 (retrieved 2024-11-24) (CAS RN: 909725-64-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H27N2O4P.C2HF3O2/c1-2-3-4-5-7-13-8-6-9-14(12-13)18-16(19)15(17)10-11-23(20,21)22;3-2(4,5)1(6)7/h6,8-9,12,15H,2-5,7,10-11,17H2,1H3,(H,18,19)(H2,20,21,22);(H,6,7)/t15-;/m0./s1

InChIKey

InChIKey=JDWCNCPWPLHFEX-RSAXXLAASA-N

SMILES

N(C([C@H](CCP(=O)(O)O)N)=O)C1=CC(CCCCCC)=CC=C1.C(C(O)=O)(F)(F)F

Canonical SMILES

O=C(O)C(F)(F)F.O=C(NC1=CC=CC(=C1)CCCCCC)C(N)CCP(=O)(O)O

Other Names for this Substance

  • Phosphonic acid, [(3S)-3-amino-4-[(3-hexylphenyl)amino]-4-oxobutyl]-, mono(trifluoroacetate)