AG006WSY

499995-84-5 | Boc-(s)-3-amino-3-(3,4-dimethoxy-phenyl)-propionic acid

AG006WSY

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CAS Number	499995-84-5
Catalog Number	AG006WSY(AGN-PC-0S5IIC)
Chemical Name	Boc-(s)-3-amino-3-(3,4-dimethoxy-phenyl)-propionic acid
IUPAC Name	(3S)-3-(3,4-dimethoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI	InChI=1S/C16H23NO6/c1-16(2,3)23-15(20)17-11(9-14(18)19)10-6-7-12(21-4)13(8-10)22-5/h6-8,11H,9H2,1-5H3,(H,17,20)(H,18,19)/t11-/m0/s1
InChI Key	NOEVPXYRCVCOIV-NSHDSACASA-N
MDL Number	MFCD03427907
Molecular Formula	C16H23NO6
Molecular Weight	325.3569
SMILES	O=C(O)C[C@H](NC(OC(C)(C)C)=O)C1=CC=C(OC)C(OC)=C1
Synonyms	499995-84-5, (S)-3-((tert-Butoxycarbonyl)amino)-3-(3,4-dimethoxyphenyl)propanoic acid, Boc-(S)-3-Amino-3-(3,4-dimethoxy-phenyl)-propionic acid, Boc-(S)-3-amino-3-(3,4-dimethoxyphenyl)propionic acid, (S)-Boc-3,4-dimethoxy--Phe-OH, CTK4J1925, DTXSID80426603, ZINC2387743, 6787AB, MFCD03427907, (S)-Boc-3,4-dimethoxy-|A-Phe-OH, (S)-Boc-3,4-dimethoxy-beta-Phe-OH, AB15149, Boc-3,4-dimethoxy-D-|A-phenylalanine, AJ-35485, PS-12112, AX8244693, RT-011646, A-8241, (S)-3-(Boc-amino)-3-(3,4-methoxyphenyl)propionic acid, (S)-Boc-3,4-dimethoxy-beta-Phe-OH, >=98.0% (HPLC), (3S)-3-[(tert-Butoxycarbonyl)amino]-3-(3,4-dimethoxyphenyl)propanoic acid, (S)-3-(tert-butoxycarbonylamino)-3-(3,4-dimethoxyphenyl)propanoic acid, (3S)-3-(3,4-DIMETHOXYPHENYL)-3-[(TERT-BUTOXY)CARBONYLAMINO]PROPANOIC ACID, (3S)-3-{[(tert-butoxy)carbonyl]amino}-3-(3,4-dimethoxyphenyl)propanoic acid, C16H23NO6, CB11759, CID7010139, 3-(3,4-dimethoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid,

Complexity	406
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	325.153g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	325.361g/mol
Monoisotopic Mass	325.153g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	94.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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