2-Hexenoic acid, 4-[[(2S)-2-amino-3,3-dimethyl-1-oxobutyl]methylamino]-2,5-dimethyl-, ethyl ester, hydrochloride (1:1), (2E,4S)-

CAS Registry Number®

610786-70-4

CAS Name

2-Hexenoic acid, 4-[[(2S)-2-amino-3,3-dimethyl-1-oxobutyl]methylamino]-2,5-dimethyl-, ethyl ester, hydrochloride (1:1), (2E,4S)-

Molecular Formula

C17H32N2O3.ClH

Cite this Page

2-Hexenoic acid, 4-[[(2S)-2-amino-3,3-dimethyl-1-oxobutyl]methylamino]-2,5-dimethyl-, ethyl ester, hydrochloride (1:1), (2E,4S)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=610786-70-4 (retrieved 2024-10-06) (CAS RN: 610786-70-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C17H32N2O3.ClH/c1-9-22-16(21)12(4)10-13(11(2)3)19(8)15(20)14(18)17(5,6)7;/h10-11,13-14H,9,18H2,1-8H3;1H/b12-10+;/t13-,14-;/m1./s1

InChIKey

InChIKey=ODRXOMQLUFDMLT-OHFIRJTNSA-N

SMILES

[C@@H](N(C([C@H](C(C)(C)C)N)=O)C)(/C=C(/C(OCC)=O)\C)[C@H](C)C.Cl

Canonical SMILES

Cl.O=C(OCC)C(=CC(N(C(=O)C(N)C(C)(C)C)C)C(C)C)C

Other Names for this Substance

  • 2-Hexenoic acid, 4-[[(2S)-2-amino-3,3-dimethyl-1-oxobutyl]methylamino]-2,5-dimethyl-, ethyl ester, hydrochloride (1:1), (2E,4S)-
  • 2-Hexenoic acid, 4-[[(2S)-2-amino-3,3-dimethyl-1-oxobutyl]methylamino]-2,5-dimethyl-, ethyl ester, monohydrochloride, (2E,4S)-

CAS INSIGHTSTM
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