AG000TAT

126825-16-9 | Boc-L-beta-homotyrosine(obzl)

AG000TAT

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CAS Number	126825-16-9
Catalog Number	AG000TAT(AGN-PC-0PIDY5)
Chemical Name	Boc-L-beta-homotyrosine(obzl)
IUPAC Name	(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(4-phenylmethoxyphenyl)butanoic acid
InChI	InChI=1S/C22H27NO5/c1-22(2,3)28-21(26)23-18(14-20(24)25)13-16-9-11-19(12-10-16)27-15-17-7-5-4-6-8-17/h4-12,18H,13-15H2,1-3H3,(H,23,26)(H,24,25)/t18-/m0/s1
InChI Key	HTZSKDKNNZPVMJ-SFHVURJKSA-N
MDL Number	MFCD01862863
Molecular Formula	C22H27NO5
Molecular Weight	385.4535
SMILES	O=C(O)C[C@@H](NC(OC(C)(C)C)=O)CC1=CC=C(OCC2=CC=CC=C2)C=C1
Synonyms	126825-16-9, Boc-L-beta-homotyrosine(OBzl), Boc-beta-Homotyr(Bzl)-OH, (S)-4-(4-(Benzyloxy)phenyl)-3-((tert-butoxycarbonyl)amino)butanoic acid, Boc-L-beta-HTyr(Bzl)-OH, Boc-O-benzyl-L-beta-homotyrosine, (S)-4-(4-Benzyloxy-phenyl)-3-tert-butoxycarbonylamino-butyric acid, (3S)-4-[4-(benzyloxy)phenyl]-3-[(tert-butoxycarbonyl)amino]butanoic acid, (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(4-phenylmethoxyphenyl)butanoic acid, boc-beta-hotyr(bzl)-oh, boc-l-homotyrosine(obzl), boc-beta-homotyr(obzl)-oh, boc-tyr(bzl)-(c*ch2)oh, AC1MC57V, TMBA035, SCHEMBL2617274, CTK8F0658, DTXSID60375827, ZINC2386824, CB-723, MFCD01862863, AKOS015900951, BL780-1, Benzenebutanoic acid, beta-[[(1,1-dimethylethoxy)carbonyl]amino]-4-(phenylmethoxy)-, (betaS)-, Boc - L - beta - homotyrosine(OBzl), AC-22099, AJ-35388, AS-47143, AX8017903, RT-011765, FT-0773419, Boc-beta-Homotyr(Bzl)-OH, >=97.0% (HPLC), I14-15615, n-beta-t-butoxycarbonyl-o-benzyl ether-l-homotyrosine, (3S)-4-(4-benzoxyphenyl)-3-(tert-butoxycarbonylamino)butyric acid, 4-[4-(benzyloxy)phenyl]-3-[(tert-butoxycarbonyl)amino]butanoic acid, (3S)-4-(4-benzyloxyphenyl)-3-(tert-butoxycarbonylamino)butanoic acid, (3S)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-(4-phenylmethoxyphenyl)butanoic acid, benzenebutanoic acid, beta-[[(1,1-dimethylethoxy)carbonyl]amino]-4-(phenylmethoxy)-, Benzenebutanoic acid,b-[[(1,1-dimethylethoxy)carbonyl]amino]-4-(phenylmethoxy)-,(bs)-, C22H27NO5, HTZSKDKNNZPVMJ-SFHVURJKSA-N, CID2761555, 3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(4-phenylmethoxyphenyl)butanoic Acid,

Complexity	488
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	385.189g/mol
Formal Charge	0
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	385.46g/mol
Monoisotopic Mass	385.189g/mol
Rotatable Bond Count	10
Topological Polar Surface Area	84.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H315-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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