AG007UVP

16947-89-0 | Boc-Dab(Z)-OH.DCHA

AG007UVP

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CAS Number	16947-89-0
Catalog Number	AG007UVP(AGN-PC-0Q9FXV)
Chemical Name	Boc-Dab(Z)-OH.DCHA
IUPAC Name	N-cyclohexylcyclohexanamine;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(phenylmethoxycarbonylamino)butanoic acid
InChI	InChI=1S/C17H24N2O6.C12H23N/c1-17(2,3)25-16(23)19-13(14(20)21)9-10-18-15(22)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	CBSVEVKFQHTZSP-ZOWNYOTGSA-N
MDL Number	MFCD00236879
Molecular Formula	C29H47N3O6
Molecular Weight	533.7000
SMILES	O=C(O)[C@@H](NC(OC(C)(C)C)=O)CCNC(OCC1=CC=CC=C1)=O.C2(NC3CCCCC3)CCCCC2
Synonyms	16947-89-0, Boc-Dab(Z)-OH.DCHA, Dicyclohexylamine (S)-4-(((benzyloxy)carbonyl)amino)-2-((tert-butoxycarbonyl)amino)butanoate, CBSVEVKFQHTZSP-ZOWNYOTGSA-N, AK-61229, Boc-Dab(Z)-OH?CHA, SCHEMBL4846559, CTK8C0044, KS-00000KDV, DTXSID00669959, ANW-63930, MFCD00236879, AKOS015901315, DS-14436, AX8032239, TC-152675, FT-0697809, ST24046508, K-5239, 947B890, I14-15334, N-alpha-Boc-N-gamma-Z-L-2,4-diaminobutyric acid dicyclohexylamine salt, (2S)-4-{[(benzyloxy)carbonyl]amino}-2-[(tert-butoxycarbonyl)amino]butanoic acid N-cyclohexylcyclohexanamine, (2S)-4-{[(Benzyloxy)carbonyl]amino}-2-[(tert-butoxycarbonyl)amino]butanoic acid--N-cyclohexylcyclohexanamine (1/1), N-alpha-t-Butyloxycarbonyl-N-gamma-benzyloxycarbonyl-L-2,4-diaminobutyric acid dicyclohexylamine, BOC-DAB(Z)-OH DCHA, Boc-Dab(Z)-OH . DCHA, ACN-033825, Boc-Dab(Z)-OH inverted exclamation mark currencyDCHA, Dicyclohexylamine(S)-4-(((benzyloxy)carbonyl)amino)-2-((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-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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