AG00EFLB

62965-37-1 | Dicyclohexylamine (S)-2-(((benzyloxy)carbonyl)amino)-3,3-dimethylbutanoate

AG00EFLB

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CAS Number	62965-37-1
Catalog Number	AG00EFLB(AGN-PC-0T6O61)
Chemical Name	Dicyclohexylamine (S)-2-(((benzyloxy)carbonyl)amino)-3,3-dimethylbutanoate
IUPAC Name	N-cyclohexylcyclohexanamine;(2S)-3,3-dimethyl-2-(phenylmethoxycarbonylamino)butanoic acid
InChI	InChI=1S/C14H19NO4.C12H23N/c1-14(2,3)11(12(16)17)15-13(18)19-9-10-7-5-4-6-8-10;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-8,11H,9H2,1-3H3,(H,15,18)(H,16,17);11-13H,1-10H2/t11-;/m1./s1
InChI Key	ZZVHEFCADXTNTP-RFVHGSKJSA-N
MDL Number	MFCD00161480
Molecular Formula	C26H42N2O4
Molecular Weight	446.6227
SMILES	C1CCC(CC1)NC1CCCCC1.[H][C@@](NC(=O)OCC1=CC=CC=C1)(C(O)=O)C(C)(C)C
Synonyms	62965-37-1, Dicyclohexylamine (S)-2-(((benzyloxy)carbonyl)amino)-3,3-dimethylbutanoate, Z-TLE-OH DCHA, Z-tBu-Gly-OH DCHA, Z-Tle-OH DCHA, L-Valine, 3-methyl-N-[(phenylmethoxy)carbonyl]-, compd. with N-cyclohexylcyclohexanamine D363, Z-Tle-OH (dicyclohexylammonium) salt, CTK8B7821, DTXSID60585045, ANW-58705, KM0676, MFCD00161480, AKOS016002013, AK-76425, AM808167, BC652492, L-Valine, 3-methyl-N-[(phenylmethoxy)carbonyl]-, compd. with N-cyclohexylcyclohexanamine (1:1), OR316032, AX8157536, TC-147450, CS-0031393, FT-0698709, X5341, Z-L-tert-Leucine (dicyclohexylammonium) salt, Z-Tle-OH (dicyclohexylammonium) salt, >=99.0% (HPLC), 2-BENZYLOXYCARBONYLAMINO-3,3-DIMETHYL-BUTYRIC ACIDCOMPOUND WITH DICYCLOHEXYL-AMINE, Dicyclohexylamine (S)-2-(((benzyloxy)carbonyl)-amino)-3,3-dimethylbutanoate, N-[(Benzyloxy)carbonyl]-3-methyl-L-valine--N-cyclohexylcyclohexanamine (1/1), N-cyclohexylcyclohexanamine,(2S)-3,3-dimethyl-2-(phenylmethoxycarbonylamino)butanoic acid, Z-Tle-OH . DCHA, C26H42N2O4, ACN-033871, CBZ-L-tert-Leucine Dicyclohexylammonium Salt, EC 478-250-9, Z-Tle-OH inverted exclamation mark currencyDCHA, Z-a-tert-butyl-Gly-OH inverted exclamation mark currencyDCHA, Dicyclohexylammonium (S)-2-benzyloxycarbonylamino-3,3-dimethylbutyrate,

Complexity	432
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	446.314g/mol
Formal Charge	0
Heavy Atom Count	32
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	446.632g/mol
Monoisotopic Mass	446.314g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	87.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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