AG006XU2

219967-69-8 | fmoc-o-t-butyl-l-beta-homotyrosine

AG006XU2

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CAS Number	219967-69-8
Catalog Number	AG006XU2(AGN-PC-0QYJD8)
Chemical Name	fmoc-o-t-butyl-l-beta-homotyrosine
IUPAC Name	(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]butanoic acid
InChI	InChI=1S/C29H31NO5/c1-29(2,3)35-21-14-12-19(13-15-21)16-20(17-27(31)32)30-28(33)34-18-26-24-10-6-4-8-22(24)23-9-5-7-11-25(23)26/h4-15,20,26H,16-18H2,1-3H3,(H,30,33)(H,31,32)/t20-/m0/s1
InChI Key	PAFSELQEYJTCCG-FQEVSTJZSA-N
MDL Number	MFCD01862862
Molecular Formula	C29H31NO5
Molecular Weight	473.5601
SMILES	O=C(O)C[C@@H](NC(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O)CC4=CC=C(OC(C)(C)C)C=C4
Synonyms	219967-69-8, Fmoc-L-beta-homotyrosine(OtBu), fmoc-o-t-butyl-l-beta-homotyrosine, Fmoc--HomoTyr(tBu)-OH, MFCD01862862, Fmoc-O-tert-butyl-L-beta-homotyrosine, Fmoc-beta-Homotyr(tBu)-OH, (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]butanoic acid, (3S)-4-[4-(tert-butoxy)phenyl]-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid, AC1MC57Y, fmoc-b-homo-d-tyr(tbu)-oh, Fmoc-beta-Homotyr(OtBu)-OH, TMBA037, Fmoc-beta-Homo-Tyr(tBu)-OH, SCHEMBL119255, CTK8F0657, ZINC2386822, CF-334, AKOS015901032, FL785-1, RTR-062340, AC-25444, ACM219967698, AK164390, AS-47151, Fmoc-beta-Homotyr(tBu)-OH, >=98.0%, TR-062340, FT-0696214, I14-15622, (3S)-4-(4-tert-butoxyphenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid, (3S)-4-(4-tert-butoxyphenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butyric acid, (3S)-4-(4-tert-butoxyphenyl)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid, (S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(4-(tert-butoxy)phenyl)butanoic acid, (S)-3-[(9H-Fluorene-9-ylmethoxycarbonyl)amino]-4-(4-tert-butoxyphenyl)butyric acid, (3S)-3-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]butanoic acid, Fmoc-|A-HomoTyr(tBu)-OH, C29H31NO5, Fmoc-beta-HoTyr(tBu)-OH - 1G 1g, CID2761556, 1233495-02-7, 3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]butanoic Acid, Benzenebutanoic acid, 4-(1,1-dimethylethoxy)-beta-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (betaS)-,

Complexity	688
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	473.22g/mol
Formal Charge	0
Heavy Atom Count	35
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	473.569g/mol
Monoisotopic Mass	473.22g/mol
Rotatable Bond Count	10
Topological Polar Surface Area	84.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.5

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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