AG0037F8

479064-90-9 | (S)-3-((tert-butoxycarbonyl)amino)-3-(4-chlorophenyl)propanoic acid

AG0037F8

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CAS Number	479064-90-9
Catalog Number	AG0037F8(AGN-PC-0RXD0W)
Chemical Name	(S)-3-((tert-butoxycarbonyl)amino)-3-(4-chlorophenyl)propanoic acid
IUPAC Name	(3S)-3-(4-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI	InChI=1S/C14H18ClNO4/c1-14(2,3)20-13(19)16-11(8-12(17)18)9-4-6-10(15)7-5-9/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m0/s1
InChI Key	ZPXVKCUGZBGIBW-NSHDSACASA-N
MDL Number	MFCD03427922
Molecular Formula	C14H18ClNO4
Molecular Weight	299.7500
SMILES	C(C)(C)(C)OC(=O)N[C@@H](CC(=O)O)C1=CC=C(C=C1)Cl
Synonyms	479064-90-9, Boc-(S)-3-Amino-3-(4-chlorophenyl)propionic acid, (S)-Boc-4-chloro-beta-Phe-OH, (S)-3-((TERT-BUTOXYCARBONYL)AMINO)-3-(4-CHLOROPHENYL)PROPANOIC ACID, Boc-(S)-3-Amino-3-(4-chloro-phenyl)-propionic acid, (S)-3-(BOC-AMINO)-3-(4-CHLOROPHENYL)PROPANOIC ACID, BOC-(S)- pound inverted question mark-(p-chlorophenyl)alanine, PubChem17330, Boc-?-Phe(4-Cl)-OH, SCHEMBL391917, Boc-(R)-3-Amino-3-(4-chlorophenyl)-propionic acid, DTXSID30426613, (S)-Boc-4-chloro-|A-Phe-OH, Boc-4-chloro-D-|A-phenylalanine, ZPXVKCUGZBGIBW-NSHDSACASA-N, ZINC2389149, Boc-beta-(S)-4-chlorophenylalanine, CB-777, MFCD03427922, SC1144, AB15182, AC-22025, ACM479064909, AJ-35552, AK-49820, AS-54577, BBV-38259714, BR-49820, SC-65690, AB0020189, AX8020959, RT-011658, FT-0652146, TL80073808, V1010, S-4737, 064B909, Boc-S-3-Amino-3-(4-chloro-phenyl)-propionic acid, (S)-3-(Boc-amino)-3-(4-chlorophenyl)propionic acid, (S)-Boc-4-chloro-beta-Phe-OH, >=98.0% (HPLC), (S)-3-(tert-butoxycarbonylamino)-3-(4-chlorophenyl)propanoic acid, (3S)-3-[(tert-Butoxycarbonyl)amino]-3-(4-chlorophenyl)propanoic acid, (3S)-3-{[(tert-butoxy)carbonyl]amino}-3-(4-chlorophenyl)propanoic acid, C14H18ClNO4, Boc- -3-Amino-3- propionicacid, ACN-025961, CID7010269, BOC-(S)-BETA-(P-CHLOROPHENYL)ALANINE, 3-(4-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid, 479064-93-2, Benzenepropanoic acid, 4-chloro-beta-[[(1,1-dimethylethoxy)carbonyl]amino]-, (betaS)-,

Complexity	346
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	299.092g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	299.751g/mol
Monoisotopic Mass	299.092g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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