AG00GTMQ

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CAS Number	920519-32-0
Catalog Number	AG00GTMQ(AGN-PC-0WBOJF)
Chemical Name	Fmoc-Asp(OtBu)-Thr(psiMe,Mepro)-OH
IUPAC Name	(4S,5R)-3-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid
InChI	InChI=1S/C30H36N2O8/c1-17-25(27(35)36)32(30(5,6)39-17)26(34)23(15-24(33)40-29(2,3)4)31-28(37)38-16-22-20-13-9-7-11-18(20)19-12-8-10-14-21(19)22/h7-14,17,22-23,25H,15-16H2,1-6H3,(H,31,37)(H,35,36)/t17-,23+,25+/m1/s1
InChI Key	NKQJRYSIZOXCTJ-LAMXGVLKSA-N
MDL Number	MFCD18427721
Molecular Formula	C30H36N2O8
Molecular Weight	552.6154
SMILES	C[C@@H]1[C@H](N(C(O1)(C)C)C(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
Synonyms	920519-32-0, Fmoc-Asp(Otbu)-Thr(Psime,Mepro)-OH, Fmoc-Asp(OtBu)-Thr(Psi(Me,Me)pro)-OH, 6796AH, MFCD18427721, AKOS025289505, ZINC169722866, (4S,5R)-3-(N-alpha-(9-Fluorenylmethyloxycarbonyl)-L-aspartyl-t-butyl ester)-2,2,5-trimethyloxazolidine-4-carboxylic acid, C30H36N2O8,

Complexity	953
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Exact Mass	552.247g/mol
Formal Charge	0
Heavy Atom Count	40
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	552.624g/mol
Monoisotopic Mass	552.247g/mol
Rotatable Bond Count	10
Topological Polar Surface Area	132A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.8

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CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited