AG007UV0

16966-07-7 | Z-Thr(tBu)-OH.DCHA

AG007UV0

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CAS Number	16966-07-7
Catalog Number	AG007UV0(AGN-PC-0Q9IDE)
Chemical Name	Z-Thr(tBu)-OH.DCHA
EC Number	241-040-0
IUPAC Name	N-cyclohexylcyclohexanamine;(2S,3R)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoic acid
InChI	InChI=1S/C16H23NO5.C12H23N/c1-11(22-16(2,3)4)13(14(18)19)17-15(20)21-10-12-8-6-5-7-9-12;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h5-9,11,13H,10H2,1-4H3,(H,17,20)(H,18,19);11-13H,1-10H2/t11-,13+;/m1./s1
InChI Key	STGGZKHUOOUVBV-YLAFAASESA-N
MDL Number	MFCD00077043
Molecular Formula	C28H46N2O5
Molecular Weight	490.6752
SMILES	C[C@@H](OC(C)(C)C)[C@H](NC(OCC1=CC=CC=C1)=O)C(O)=O.C2(NC3CCCCC3)CCCCC2
Synonyms	16966-07-7, Z-Thr(Tbu)-Oh.Dcha, Z-THR(TBU)-OH DCHA, Dicyclohexylamine (2S,3R)-2-(((benzyloxy)carbonyl)amino)-3-(tert-butoxy)butanoate, MFCD00077043, O-(1,1-Dimethylethyl)-N-[(phenylmethoxy)carbonyl]-L-theronine, Cbz-O-tert-butyl-L-threonine dicyclohexylamine, AK-61071, EINECS 241-040-0, PubChem18369, Z-Thr(tBu)-OH?CHA, Cbz-Thr(tBu)-OH.DCHA, Z-DL-Thr(tBu)-OH.DCHA, SCHEMBL16055126, CTK0I4065, Cbz-O-tert-butyl-L-threonine DCHA, KS-00000J1L, ANW-58854, AKOS015892646, N-Benzyloxycarbonyl-O-tert-butyl-L-threonine, compound with dicyclohexylamine, CS-W007137, VA50561, AC-13674, DS-16488, AX8001908, TC-147599, TL8006220, Z-Thr(tBu)-OH (dicyclohexylammonium) salt, FT-0637467, ST24046495, K-5245, 966Z077, I14-37238, N-Z-O-tert-butyl-L-threonine (dicyclohexylammonium) salt, N-alpha-Benzyloxycarbonyl-O-t-butyl-L-threonine dicyclohexylamine, dicyclohexylamine (2S,3R)-2-(benzyloxycarbonylamino)-3-tert-butoxybutanoate, N-cyclohexylcyclohexanamine,(2S,3R)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoic acid, STGGZKHUOOUVBV-YLAFAASESA-N, C28H46N2O5, C16H23NO5.C12H23N, ACN-033604, CB11376, C16-H23-N-O5.C12-H23-N, Z-O-tert.butyl-L-threoninedicyclohexylamine salt,

Complexity	487
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	490.341g/mol
Formal Charge	0
Heavy Atom Count	35
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	490.685g/mol
Monoisotopic Mass	490.341g/mol
Rotatable Bond Count	10
Topological Polar Surface Area	96.9A^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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