AG002DH9

201531-88-6 | L-Valine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-3-[(triphenylmethyl)thio]-

AG002DH9

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CAS Number	201531-88-6
Catalog Number	AG002DH9(AGN-PC-0QS8WE)
Chemical Name	L-Valine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-3-[(triphenylmethyl)thio]-
IUPAC Name	(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-3-tritylsulfanylbutanoic acid
InChI	InChI=1S/C39H35NO4S/c1-38(2,45-39(27-16-6-3-7-17-27,28-18-8-4-9-19-28)29-20-10-5-11-21-29)35(36(41)42)40-37(43)44-26-34-32-24-14-12-22-30(32)31-23-13-15-25-33(31)34/h3-25,34-35H,26H2,1-2H3,(H,40,43)(H,41,42)/t35-/m1/s1
InChI Key	XSGMGAINOILNJR-PGUFJCEWSA-N
MDL Number	MFCD00237388
Molecular Formula	C39H35NO4S
Molecular Weight	613.7645
SMILES	C1=CC=CC=2C3=CC=CC=C3C(C12)COC(=O)N[C@H](C(=O)O)C(C)(SC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)C
Synonyms	Fmoc-Pen(Trt)-OH, 201531-88-6, FMOC-S-TRITYL-L-PENICILLAMINE, Fmoc-,-dimethyl-Cys(Trt)-OH, MFCD00237388, (R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-methyl-3-(tritylthio)butanoic acid, (2R)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-methyl-3-[(triphenylmethyl)sulfanyl]butanoic acid, (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-3-tritylsulfanyl-butanoic acid, (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-3-tritylsulfanylbutanoic acid, (R)-2-(((9H-fluoren-9-yl)methoxy)carbonylamino)-3-methyl-3-(tritylthio)butanoic acid, Fmoc-pen(trt), AK-48000, SCHEMBL118262, Fmoc-Pen(Trt)-OH, 96%, CTK4E3419, DTXSID10659604, XSGMGAINOILNJR-PGUFJCEWSA-N, ACT10377, ANW-74539, ZINC71788116, AKOS015895566, L-Valine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-3-[(triphenylmethyl)thio]-, CS-W009592, RTX-012381, AN-30001, SC-26571, DB-038111, FT-0659460, 531F886, I06-1183, N-alpha-(9-Fluorenylmethyloxycarbonyl)-S-trityl-L-penicillamine, L-Valine,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-3-[(triphenylmethyl)thio]-, (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-3-(tritylthio)butyric acid, N-{[(9H-Fluoren-9-yl)methoxy]carbonyl}-3-[(triphenylmethyl)sulfanyl]-L-valine, (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-3-(triphenylmethyl)sulfanyl-butanoic acid, (2R)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-3-methyl-3-[(triphenylmethyl)thio]butanoic acid, Fmoc-Pen(Trt)-OH - 1G 1g, A7660,

Complexity	914
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	613.229g/mol
Formal Charge	0
Heavy Atom Count	45
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	613.772g/mol
Monoisotopic Mass	613.229g/mol
Rotatable Bond Count	11
Topological Polar Surface Area	101A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	8.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335-H413
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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