AG007F72

3350-13-8 | Dicyclohexylamine (S)-2-(((benzyloxy)carbonyl)amino)-4-((tert-butoxycarbonyl)amino)butanoate

AG007F72

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CAS Number	3350-13-8
Catalog Number	AG007F72(AGN-PC-0R8ZWD)
Chemical Name	Dicyclohexylamine (S)-2-(((benzyloxy)carbonyl)amino)-4-((tert-butoxycarbonyl)amino)butanoate
IUPAC Name	N-cyclohexylcyclohexanamine;(2S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)butanoic acid
InChI	InChI=1S/C17H24N2O6.C12H23N/c1-17(2,3)25-15(22)18-10-9-13(14(20)21)19-16(23)24-11-12-7-5-4-6-8-12;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-8,13H,9-11H2,1-3H3,(H,18,22)(H,19,23)(H,20,21);11-13H,1-10H2/t13-;/m0./s1
InChI Key	CYMIEBREXUYHGN-ZOWNYOTGSA-N
MDL Number	MFCD00237341
Molecular Formula	C29H47N3O6
Molecular Weight	533.7000
SMILES	O=C(O)[C@@H](NC(OCC1=CC=CC=C1)=O)CCNC(OC(C)(C)C)=O.C2(NC3CCCCC3)CCCCC2
Synonyms	3350-13-8, Dicyclohexylamine (S)-2-(((benzyloxy)carbonyl)amino)-4-((tert-butoxycarbonyl)amino)butanoate, Z-DAB(BOC)-OH DCHA, Z-Dab(Boc)-OH.DCHA, MFCD00237341, Z-DAB(BOC )-OH.DCHA, AK-61258, Z-Dab(Boc)-OH?CHA, CTK8B7870, KS-00000KIY, DTXSID30678756, ANW-58832, EBD2207232, DS-14734, AX8033260, TC-147577, FT-0698269, K-7718, 350Z138, I04-1238, N-a-Z-N-?-Boc-L-2,4-diaminobutyric aciddicyclohexylaminesalt, Z-N-gamma-Boc-L-2,4-diaminobutyric acid dicyclohexylammonium salt, (S)-2-Benzyloxycarbonylamino-4-(Boc-amino)butyric acid dicyclohexylammonium salt, 98%, dicyclohexylamine (S)-2-(benzyloxycarbonylamino)-4-(tert-butoxycarbonylamino)butanoate, Z-Dab(Boc)-OH.DCHA(Na-Z-N4-Boc-2,4-Diaminobutyric acid dicyclohexylamine salt ), (2S)-2-{[(Benzyloxy)carbonyl]amino}-4-[(tert-butoxycarbonyl)amino]butanoic acid--N-cyclohexylcyclohexanamine (1/1), Butanoic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-2-[[(phenylmethoxy)carbonyl]amino]-, (2S)-, compd. with N-cyclohexylcyclohexanamine, Dicyclohexylamine (S)-2- (((benzyloxy)carbonyl)amino)-4- ((tert- butoxycarbonyl)amino)butanoate, N-alpha-Benzyloxycarbonyl-N-gamma-(t-butyloxycarbonyl)-2,4-diaminobutyric acid dicyclohexylamine, ACN-033831, Z-Dab(Boc )-OH inverted exclamation mark currencyDCHA, Dicyclohexylamine(S)-2-(((benzyloxy)carbonyl)amino)-4-((tert-butoxycarbonyl)amino)butanoate,

Complexity	571
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	533.346g/mol
Formal Charge	0
Heavy Atom Count	38
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	533.71g/mol
Monoisotopic Mass	533.346g/mol
Rotatable Bond Count	12
Topological Polar Surface Area	126A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number