AG00H12W

887707-95-1 | BOC-THR(VAL-FMOC)-OH

AG00H12W

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CAS Number	887707-95-1
Catalog Number	AG00H12W(AGN-PC-0VNXKQ)
Chemical Name	BOC-THR(VAL-FMOC)-OH
IUPAC Name	(2S,3R)-3-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
InChI	InChI=1S/C29H36N2O8/c1-16(2)23(26(34)38-17(3)24(25(32)33)31-28(36)39-29(4,5)6)30-27(35)37-15-22-20-13-9-7-11-18(20)19-12-8-10-14-21(19)22/h7-14,16-17,22-24H,15H2,1-6H3,(H,30,35)(H,31,36)(H,32,33)/t17-,23+,24+/m1/s1
InChI Key	KFMYXFZGGHKJMR-CQLNOVPUSA-N
MDL Number	MFCD11974993
Molecular Formula	C29H36N2O8
Molecular Weight	540.6047
SMILES	C[C@@H](OC([C@@H](NC(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O)C(C)C)=O)[C@H](NC(OC(C)(C)C)=O)C(O)=O
Synonyms	Boc-Thr(Val-Fmoc)-OH, Boc-Thr(Fmoc-Val)-OH, 887707-95-1, Boc-L-Thr(Fmoc-L-Val)-OH, AK170264, Boc-Thr(Fmoc-L-Val)-OH, Boc-Thr(Fmoc-Val)-OH, AldrichCPR, MFCD11974993, ZINC71788189, AKOS025289500, DS-7563, N-(tert-Butoxycarbonyl)-O-[N-(9H-fluorene-9-ylmethoxycarbonyl)-L-valyl]-L-threonine, CID11649564, CID 11649564,

Complexity	863
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Exact Mass	540.247g/mol
Formal Charge	0
Heavy Atom Count	39
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	540.613g/mol
Monoisotopic Mass	540.247g/mol
Rotatable Bond Count	13
Topological Polar Surface Area	140A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.1

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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