AG00BXFO

401915-55-7 | (s)-3-(fmoc-amino)-n-trityl-adipic acid 6-amide

AG00BXFO

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CAS Number	401915-55-7
Catalog Number	AG00BXFO(AGN-PC-0RMB03)
Chemical Name	(s)-3-(fmoc-amino)-n-trityl-adipic acid 6-amide
IUPAC Name	(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-6-oxo-6-(tritylamino)hexanoic acid
InChI	InChI=1S/C40H36N2O5/c43-37(42-40(28-14-4-1-5-15-28,29-16-6-2-7-17-29)30-18-8-3-9-19-30)25-24-31(26-38(44)45)41-39(46)47-27-36-34-22-12-10-20-32(34)33-21-11-13-23-35(33)36/h1-23,31,36H,24-27H2,(H,41,46)(H,42,43)(H,44,45)/t31-/m0/s1
InChI Key	YWEDBQXENWAMAS-HKBQPEDESA-N
MDL Number	MFCD03427580
Molecular Formula	C40H36N2O5
Molecular Weight	624.7242
SMILES	O=C(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)N[C@H](CC(O)=O)CCC(NC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)=O
Synonyms	401915-55-7, Fmoc-beta-Homogln(Trt)-OH, Fmoc-beta-Hogln(Trt)-OH, Fmoc-L-beta-homoglutamine(Trt), (S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-6-oxo-6-(tritylamino)hexanoic acid, Fmoc-beta-homo-Gln(TRT)-OH, Fmoc-Ndelta-methyltrityl-L-glutamine, MFCD03427580, (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-6-oxo-6-(tritylamino)hexanoic acid, Fmoc--HoGln(Trt)-OH Fmoc-L--Homoglutamine(Trt), (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-6-keto-6-(tritylamino)hexanoic acid, (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-6-oxidanylidene-6-[(triphenylmethyl)amino]hexanoic acid, (3S)-3-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-6-oxo-6-[(triphenylmethyl)amino]hexanoic acid, AK-89140, Fmoc-?-HoGln(Trt)-OH, AC1MC54V, Fmoc-b-Homo-Gln(Trt)-OH, SCHEMBL178893, CTK8F9909, DTXSID50375811, Fmoc-Ng-trityl-L-b-homoglutamine, ZINC4240264, 5366AB, CF-805, AKOS015903178, CS-W011425, ACM401915557, RT-013019, FT-0696172, A-7314, L-3-(Fmoc-amino)-N-trityladipic acid 6-amide, Fmoc-beta-Homogln(Trt)-OH, >=95.0% (HPLC), (S)-3-(Fmoc-amino)-N-trityl-adipic acid 6-amide, I14-18929, (3S)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-5-(triphenylmethylcarbamoyl)pentanoic acid, Fmoc-|A-HoGln(Trt)-OH, Fmoc-L-beta-Homoarginine(Pmc), C40H36N2O5, Fmoc-beta-HoGln(Trt)-OH - 1G 1g, ACN-034168, CID2761519, A7561, 144317-23-7, 3-(9H-fluoren-9-ylmethoxycarbonylamino)-5-(tritylcarbamoyl)pentanoic Acid, 700377-76-0, Hexanoic acid, 3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-6-oxo-6-[(triphenylmethyl)amino]-, (3S)-,

Complexity	962
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	624.262g/mol
Formal Charge	0
Heavy Atom Count	47
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	624.737g/mol
Monoisotopic Mass	624.262g/mol
Rotatable Bond Count	13
Topological Polar Surface Area	105A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	6.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H315-H319
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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