AG00238V

181952-29-4 | L-Alanine, 3-(acetylamino)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-

AG00238V

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CAS Number	181952-29-4
Catalog Number	AG00238V(AGN-PC-0WD6VE)
Chemical Name	L-Alanine, 3-(acetylamino)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-
IUPAC Name	(2S)-3-acetamido-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
InChI	InChI=1S/C20H20N2O5/c1-12(23)21-10-18(19(24)25)22-20(26)27-11-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,17-18H,10-11H2,1H3,(H,21,23)(H,22,26)(H,24,25)/t18-/m0/s1
InChI Key	NJHKPVSGTKWJEN-SFHVURJKSA-N
MDL Number	MFCD00022045
Molecular Formula	C20H20N2O5
Molecular Weight	368.3832
SMILES	O=C(O)[C@@H](NC(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O)CNC(C)=O
Synonyms	181952-29-4, (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-acetamidopropanoic acid, SCHEMBL12361265, l-alanine, 3-(acetylamino)-n-[(9h-fluoren-9-ylmethoxy)carbonyl]-, AKOS025286132,

Complexity	545
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	368.137g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	368.389g/mol
Monoisotopic Mass	368.137g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	105A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
UN Code

Certificate of Analysis

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