AG003STB

87720-54-5 | Boc-4,5-dehydro-leu-oh dcha

AG003STB

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CAS Number	87720-54-5
Catalog Number	AG003STB(AGN-PC-0VG8F5)
Chemical Name	Boc-4,5-dehydro-leu-oh dcha
IUPAC Name	N-cyclohexylcyclohexanamine;(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoic acid
InChI	InChI=1S/C12H23N.C11H19NO4/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-7(2)6-8(9(13)14)12-10(15)16-11(3,4)5/h11-13H,1-10H2;8H,1,6H2,2-5H3,(H,12,15)(H,13,14)/t;8-/m.0/s1
InChI Key	ZRIOKRZSXPPREV-WDBKTSHHSA-N
MDL Number	MFCD00237524
Molecular Formula	C23H42N2O4
Molecular Weight	410.5906
SMILES	CC(C[C@@H](C(O)=O)NC(OC(C)(C)C)=O)=C.C1(CCCCC1)NC2CCCCC2
Synonyms	87720-54-5, BOC-4,5-DEHYDRO-LEU-OH DCHA, MFCD00237524, (S)-2-(Boc-amino)-4-methyl-4-pentenoic acid dicyclohexylamine salt, AC1MBSDY, DTXSID60373141, Boc-4,5-dehydro-Leu-OH . DCHA, 1385AF, KM2548, AKOS025312267, Boc-4,5-dehydro-L-leu-OH . DCHA, AS-49231, FT-0679736, Boc-4,5-dehydro-L-leucine dicyclohexylamine salt, Boc-4,5-dehydro-Leu-OH dicyclohexylammonium salt, N-Boc-4,5-dehydro-L-leucine dicyclohexylamine salt, (2S)-2-[(tert-butoxycarbonyl)amino]-4-methylpent-4-enoic acid; dicha, Boc-4,5-dehydro-Leu-OH (dicyclohexylammonium) salt, >=96.0% (HPLC), dicyclohexylamine (S)-2-(tert-butoxycarbonylamino)-4-methylpent-4-enoate, N-(tert-Butoxycarbonyl)-4-methylidene-L-norvaline--N-cyclohexylcyclohexanamine (1/1), 4-Pentenoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-4-methyl-, (S)-, compd. with N-cyclohexylcyclohexanamine (1:1), N-cyclohexylcyclohexanamine; (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoic acid, ZRIOKRZSXPPREV-WDBKTSHHSA-N, C23H42N2O4, Boc-(S)-2-Methallylglycine DCHA, BOC-4,5-DEHYDRO-LEU-OHDCHA, CID2755920, CID 2755920,

Complexity	407
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	410.314g/mol
Formal Charge	0
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	410.599g/mol
Monoisotopic Mass	410.314g/mol
Rotatable Bond Count	8
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	9
Hazard statements	H302-H315-H318-H335-H400
Packing Group	Ⅲ
Precautionary statements	P261-P273-P280-P305+P351+P338
UN Code	UN 3077

Certificate of Analysis

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