AG00BEZI

214852-56-9 | FMOC-BETA-(2-QUINOLYL)-ALA-OH

AG00BEZI

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CAS Number	214852-56-9
Catalog Number	AG00BEZI(AGN-PC-0QY2EP)
Chemical Name	FMOC-BETA-(2-QUINOLYL)-ALA-OH
IUPAC Name	(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-quinolin-2-ylpropanoic acid
InChI	InChI=1S/C27H22N2O4/c30-26(31)25(15-18-14-13-17-7-1-6-12-24(17)28-18)29-27(32)33-16-23-21-10-4-2-8-19(21)20-9-3-5-11-22(20)23/h1-14,23,25H,15-16H2,(H,29,32)(H,30,31)/t25-/m0/s1
InChI Key	IDOMHXAHHXHYMO-VWLOTQADSA-N
MDL Number	MFCD01318745
Molecular Formula	C27H22N2O4
Molecular Weight	438.4746
SMILES	C1=CC=CC=2C3=CC=CC=C3C(C12)COC(=O)N[C@H](C(=O)O)CC1=NC2=CC=CC=C2C=C1
Synonyms	214852-56-9, Fmoc-beta-(2-quinolyl)-Ala-OH, Fmoc--(2-quinolyl)-Ala-OH, Fmoc-|A-(2-quinolyl)-Ala-OH, Fmoc-3-(2'-quinoyl)-L-alanine, SCHEMBL6507453, ZINC2244304, 6800AH, MFCD01318745, ACM214852569, J-014097, Fmoc-L-2-Quinoylalanine, C27H22N2O4,

Complexity	678
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	438.158g/mol
Formal Charge	0
Heavy Atom Count	33
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	438.483g/mol
Monoisotopic Mass	438.158g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	88.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.9

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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