Name: Name:2-Hexenoic acid, 4-[[(2S)-2-amino-3,3-dimethyl-1-oxobutyl]methylamino]-2,5-dimethyl-, ethyl ester, monohydrochloride, (2E,4S)-
Brand: Angene
SKU: AG00ECFT
Rating: 90 (10 reviews)

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

CAS No.:

610786-70-4

Catalog Number:

AG00ECFT

Molecular Formula:

C17H33ClN2O3

Molecular Weight:

348.9085

Catalog Number:

AG00ECFT

Chemical Name:

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

CAS Number:

610786-70-4

Molecular Formula:

C17H33ClN2O3

Molecular Weight:

348.9085

MDL Number:

MFCD29472353

IUPAC Name:

ethyl (E,4S)-4-[[(2S)-2-amino-3,3-dimethylbutanoyl]-methylamino]-2,5-dimethylhex-2-enoate;hydrochloride

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

InChI Key:

ODRXOMQLUFDMLT-OHFIRJTNSA-N

SMILES:

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

Complexity:

422

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

348.218g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

348.912g/mol

Monoisotopic Mass:

348.218g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

72.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count: