N-Cyclohexyl L-Z-Valinamide - CAS 17922-79-1

Catalog:	BB069074
Product Name:	N-Cyclohexyl L-Z-Valinamide
CAS:	17922-79-1
Synonyms:	(S)-Benzyl (1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl)carbamate; N-Cyclohexyl L-Z-Valinamide; benzyl N-[(2S)-1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]carbamate; N-Cbz-L-N'-cyclohexylvalinamide; (S)-Benzyl(1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl)carbamate

Technical Data

IUPAC Name:	benzyl N-[(2S)-1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]carbamate
Description:	N-Cyclohexyl L-Z-Valinamide
Molecular Weight:	332.44
Molecular Formula:	C19H28N2O3
Canonical SMILES:	CC(C)C(C(=O)NC1CCCCC1)NC(=O)OCC2=CC=CC=C2
InChI:	InChI=1S/C19H28N2O3/c1-14(2)17(18(22)20-16-11-7-4-8-12-16)21-19(23)24-13-15-9-5-3-6-10-15/h3,5-6,9-10,14,16-17H,4,7-8,11-13H2,1-2H3,(H,20,22)(H,21,23)/t17-/m0/s1
InChI Key:	UQBYHYLSJXPFLH-KRWDZBQOSA-N

Complexity:	399
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	332.20999276
Formal Charge:	0
Heavy Atom Count:	24
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	332.20999276
Rotatable Bond Count:	7
Topological Polar Surface Area:	67.4Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4