AG0009LK

113756-89-1 | Boc-L-2-amino-5-phenyl-pentanoic acid dcha salt

AG0009LK

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CAS Number	113756-89-1
Catalog Number	AG0009LK(AGN-PC-0P5C5Z)
Chemical Name	Boc-L-2-amino-5-phenyl-pentanoic acid dcha salt
IUPAC Name	N-cyclohexylcyclohexanamine;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid
InChI	InChI=1S/C16H23NO4.C12H23N/c1-16(2,3)21-15(20)17-13(14(18)19)11-7-10-12-8-5-4-6-9-12;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-6,8-9,13H,7,10-11H2,1-3H3,(H,17,20)(H,18,19);11-13H,1-10H2/t13-;/m0./s1
InChI Key	WTRAZOVTEAIRDM-ZOWNYOTGSA-N
MDL Number	MFCD06410979
Molecular Formula	C28H46N2O4
Molecular Weight	474.6758
SMILES	O=C(O)[C@@H](NC(OC(C)(C)C)=O)CCCC1=CC=CC=C1.C2(NC3CCCCC3)CCCCC2
Synonyms	113756-89-1, Dicyclohexylamine (S)-2-((tert-butoxycarbonyl)amino)-5-phenylpentanoate, BOC-L-2-AMINO-5-PHENYL-PENTANOIC ACID DCHA SALT, Boc-L-2-amino-5-phenylpentanoic acid dicyclohexylamine salt, Boc-L-Nva(5-phenyl)-OH DCHA, C16H23NO4.C12H23N, AC1MC5RY, Boc-Nva(5-phenyl)-OHCHA, CTK8B8827, DTXSID80375925, ANW-61408, MFCD06410979, AKOS015948913, AC-9945, CB-2919, AK-43533, PS-12524, AX8118167, RT-021686, FT-0657541, Y6703, Boc-L-2-Amino-5-phenyl-pentanoic acid DCHA, K-1006, 756B891, Dicyclohexylamine (S)-2-((tert-butoxycarbonyl)-amino)-5-phenylpentanoate, N-(tert-Butoxycarbonyl)-5-phenyl-L-norvaline--N-cyclohexylcyclohexanamine (1/1), Benzenepentanoic acid, alpha-[[(1,1-dimethylethoxy)carbonyl]amino]-, (S)-, compd. with N-cyclohexylcyclohexanamine (1:1) (9CI), N-cyclohexylcyclohexanamine; (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid, WTRAZOVTEAIRDM-ZOWNYOTGSA-N, CID2761800, CID 2761800, Boc-L-2-amino-5-phenyl-pentanoic acid-DCHA, Benzenepentanoic acid, a-[[(1,1-dimethylethoxy)carbonyl]amino]-, (S)-, compd. with N-cyclohexylcyclohexanamine (1:1),

Complexity	459
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	474.346g/mol
Formal Charge	0
Heavy Atom Count	34
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	474.686g/mol
Monoisotopic Mass	474.346g/mol
Rotatable Bond Count	10
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-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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