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AG003SVS

26699-00-3 | Z-Ile-OH.DCHA

AG003SVS

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CAS Number	26699-00-3
Catalog Number	AG003SVS(AGN-PC-0R2MRQ)
Chemical Name	Z-Ile-OH.DCHA
EC Number	247-910-6
IUPAC Name	N-cyclohexylcyclohexanamine;(2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid
InChI	InChI=1S/C14H19NO4.C12H23N/c1-3-10(2)12(13(16)17)15-14(18)19-9-11-7-5-4-6-8-11;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-8,10,12H,3,9H2,1-2H3,(H,15,18)(H,16,17);11-13H,1-10H2/t10-,12-;/m0./s1
InChI Key	QWMHUFMEYKIYPC-JGAZGGJJSA-N
MDL Number	MFCD00043243
Molecular Formula	C26H42N2O4
Molecular Weight	446.6227
SMILES	CC[C@H](C)[C@@H](C([O-])=O)NC(OCC1=CC=CC=C1)=O.C2([NH2+]C3CCCCC3)CCCCC2
Synonyms	26699-00-3, Cbz-L-Isoleucine dicyclohexylamine salt, Z-Ile-OH (dicyclohexylammonium) salt, MFCD00043243, Cbz-Ile-OH.DCHA, N-((Benzyloxy)carbonyl)-L-isoleucine, compound with dicyclohexylamine (1:1), EINECS 247-910-6, PubChem18961, CTK1A7257, ANW-41431, AKOS015924102, AS-12226, BC681205, Z-L-isoleucine (dicyclohexylammonium) salt, AB0011559, TR-012063, Cbz-L-Isoleucine (dicyclohexylammonium) salt, FT-0654491, ST51037717, J-016520, N-alpha-Benzyloxycarbonyl-L-isoleucine dicyclohexylamine, dicyclohexylamine (2S,3S)-2-(benzyloxycarbonylamino)-3-methylpentanoate, (2S,3S)-3-methyl-2-[(phenylmethoxy)carbonylamino]pentanoic acid, dicyclohexyla mine, N-cyclohexylcyclohexanamine,(2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid, Z-Ile-OH.DCHA, Cbz-isoleucine.DCHA, QWMHUFMEYKIYPC-JGAZGGJJSA-N, C26H42N2O4, Z-Ile-OH dicyclohexylammonium salt, N-Carbobenzoxy-L-isoleucine Dicyclohexylammonium Salt, C14H19NO4.C12H23N, ACN-033316, Z-Ile-OH.DCHA - 100G 100g, AK307131, C14-H19-N-O4.C12-H23-N, M-1015, N-CARBOBENZOXY-L-ISOLEUCINEDICYCLOHEXYLAMMONIUMSALT, N-[(benzyloxy)carbonyl]-L-isoleucine, compound with dicyclohexylamine (1:1),

Complexity	416
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	2
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	9
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
Signal Words	warning
UN Code

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CERTIFICATE OF ANALYSIS

Chemical Name:	Batch Number:
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Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited