AG002DH8

201532-01-6 | D-Valine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-3-[(triphenylmethyl)thio]-

AG002DH8

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CAS Number	201532-01-6
Catalog Number	AG002DH8(AGN-PC-0O74F3)
Chemical Name	D-Valine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-3-[(triphenylmethyl)thio]-
IUPAC Name	(2S)-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-/m0/s1
InChI Key	XSGMGAINOILNJR-DHUJRADRSA-N
MDL Number	MFCD00237389
Molecular Formula	C39H35NO4S
Molecular Weight	613.7645
SMILES	CC(C)(SC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)[C@H](C(O)=O)NC(OCC4C5=C(C6=C4C=CC=C6)C=CC=C5)=O
Synonyms	Fmoc-D-Pen(Trt)-OH, 201532-01-6, Fmoc-S-trityl-D-penicillamine, Fmoc-,-dimethyl-D-Cys(Trt)-OH, AK163528, Fmoc-D-Pen(Trt)-O, SCHEMBL142700, DTXSID80670200, CF-838, MFCD00237389, ZINC71788117, AKOS015837178, DS-8258, Fmoc-beta,beta-dimethyl-D-Cys(Trt)-OH, AN-30002, FT-0656724, ST24047261, 532F016, I06-1815, J-013062, N-(9-Fluorenylmethyloxycarbonyl)-S-trityl-D-penicillamine, N-alpha-(9-Fluorenylmethyloxycarbonyl)-S-trityl-D-penicillamine, D-Valine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-3-[(triphenylmethyl)thio]-, (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-3-tritylsulfanyl-butanoic acid, (S)-2-(((9H-fluoren-9-yl)methoxy)carbonylamino)-3-methyl-3-(tritylthio)butanoic acid, N-{[(9H-Fluoren-9-yl)methoxy]carbonyl}-3-[(triphenylmethyl)sulfanyl]-D-valine, (2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-methyl-3-[(triphenylmethyl)sulfanyl]butanoic acid, Fmoc-Pen(Trt)-OH, FMOC-D-PEN -OH, FMOC-S-TRITYL-L-PENICILLAMINE, Fmoc-D-Pen(Trt)-OH - 10G 10g, N-(9-Fluorenylmethyloxycarbonyl)-S-trityl-, A7663, 201531-88-6,

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
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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