AG001PBY

1572725-72-4 | 4-Oxazolidinecarboxylic acid, 3-[(2S)-2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-1,5-dioxo-5-[(triphenylmethyl)amino]pentyl]-2,2,5-trimethyl-, (4S,5R)-

AG001PBY

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CAS Number	1572725-72-4
Catalog Number	AG001PBY(AGN-PC-0WBOJR)
Chemical Name	4-Oxazolidinecarboxylic acid, 3-[(2S)-2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-1,5-dioxo-5-[(triphenylmethyl)amino]pentyl]-2,2,5-trimethyl-, (4S,5R)-
IUPAC Name	(4S,5R)-3-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxo-5-(tritylamino)pentanoyl]-2,2,5-trimethyl-1,3-oxazolidine-4-carboxylic acid
InChI	InChI=1S/C46H45N3O7/c1-30-41(43(52)53)49(45(2,3)56-30)42(51)39(47-44(54)55-29-38-36-25-15-13-23-34(36)35-24-14-16-26-37(35)38)27-28-40(50)48-46(31-17-7-4-8-18-31,32-19-9-5-10-20-32)33-21-11-6-12-22-33/h4-26,30,38-39,41H,27-29H2,1-3H3,(H,47,54)(H,48,50)(H,52,53)/t30-,39+,41+/m1/s1
InChI Key	JQTGZPUCAULNOC-QZNHJORUSA-N
MDL Number	MFCD10001377
Molecular Formula	C46H45N3O7
Molecular Weight	751.8654
SMILES	C(NC(CC[C@@H](C(=O)N1[C@H](C(O)=O)[C@@H](C)OC1(C)C)NC(OCC2C=3C(C=4C2=CC=CC4)=CC=CC3)=O)=O)(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7
Synonyms	1572725-72-4, Fmoc-Gln(Trt)-Thr(Psi(Me,Me)pro)-OH, Fmoc-Gln(Trt)-Thr(Psime,Mepro)-OH, C46H45N3O7, 6882AH, MFCD18427356, AKOS030213795, ZINC150339398, (4S,5R)-3-(N-alpha-(9-Fluorenylmethyloxycarbonyl)-N-gamma-trityl-L-glutaminyl)-2,2,5-trimethyloxazolidine-4-carboxylic acid, 4-Oxazolidinecarboxylic acid, 3-[(2S)-2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-1,5-dioxo-5-[(triphenylmethyl)amino]pentyl]-2,2,5-trimethyl-, (4S,5R)-,

Complexity	1300
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Exact Mass	751.326g/mol
Formal Charge	0
Heavy Atom Count	56
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	751.88g/mol
Monoisotopic Mass	751.326g/mol
Rotatable Bond Count	13
Topological Polar Surface Area	134A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	7.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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