AG00BE20

268209-95-6 | 3-tert-Butoxycarbonylamino-3-naphthalen-1-yl-propionic acid

AG00BE20

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CAS Number	268209-95-6
Catalog Number	AG00BE20(AGN-PC-0R2RV2)
Chemical Name	3-tert-Butoxycarbonylamino-3-naphthalen-1-yl-propionic acid
IUPAC Name	3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-1-ylpropanoic acid
InChI	InChI=1S/C18H21NO4/c1-18(2,3)23-17(22)19-15(11-16(20)21)14-10-6-8-12-7-4-5-9-13(12)14/h4-10,15H,11H2,1-3H3,(H,19,22)(H,20,21)
InChI Key	YDSAGJMVVUBPOK-UHFFFAOYSA-N
MDL Number	MFCD02090687
Molecular Formula	C18H21NO4
Molecular Weight	315.3636
SMILES	O=C(O)CC(NC(OC(C)(C)C)=O)C1=C2C=CC=CC2=CC=C1
Synonyms	268209-95-6, 3-tert-Butoxycarbonylamino-3-naphthalen-1-yl-propionic acid, (R,S)-BOC-3-AMINO-3-(1-NAPHTHYL)-PROPIONIC ACID, 3-((tert-Butoxycarbonyl)amino)-3-(naphthalen-1-yl)propanoic acid, 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-1-ylpropanoic acid, AC1MBSJM, SCHEMBL7348311, (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-1-ylpropanoic acid, ZX-AV000207, 5391AH, MFCD02090687, AKOS005104336, MCULE-4700859249, KS-000021N9, ACM268209956, 3-Boc-amino-3-(1-naphthyl)propanoic acid, RT-011630, A-8161, 9R-0662, 3-[(tert-butoxycarbonyl)amino]-3-(1-naphthyl)propanoic acid, 3-{[(tert-butoxy)carbonyl]amino}-3-(naphthalen-1-yl)propanoic acid, (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-1-ylpropanoic acid, C18H21NO4, CID2755988, -BOC-3-AMINO-3- -PROPIONICACID, Boc-(R,S)-3-amino-3-(1-naphthyl)propionic acid, (S)-3-((tert-Butoxycarbonyl)amino)-3-(naphthalen-1-yl)propanoic acid, 500770-68-3, (R)-3-((tert-Butoxycarbonyl)amino)-3-(naphthalen-1-yl)propanoic acid, 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-1-yl-propanoic Acid, 500789-00-4,

Complexity	429
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	315.147g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	315.369g/mol
Monoisotopic Mass	315.147g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	3.2

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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