AG002DHA

201531-77-3 | D-Valine, 3-[[(acetylamino)methyl]thio]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-

AG002DHA

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CAS Number	201531-77-3
Catalog Number	AG002DHA(AGN-PC-0QS8VK)
Chemical Name	D-Valine, 3-[[(acetylamino)methyl]thio]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-
IUPAC Name	(2S)-3-(acetamidomethylsulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoic acid
InChI	InChI=1S/C23H26N2O5S/c1-14(26)24-13-31-23(2,3)20(21(27)28)25-22(29)30-12-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,19-20H,12-13H2,1-3H3,(H,24,26)(H,25,29)(H,27,28)/t20-/m0/s1
InChI Key	HJXCJYNKTHOYRD-FQEVSTJZSA-N
MDL Number	MFCD00151934
Molecular Formula	C23H26N2O5S
Molecular Weight	442.5279
SMILES	CC(C)(SCNC(C)=O)[C@H](C(O)=O)NC(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O
Synonyms	Fmoc-D-Pen(Acm)-OH, 201531-77-3, Fmoc-S-acetamidomethyl-D-penicillamine, Fmoc-,-dimethyl-D-Cys(Acm)-OH, Fmoc-D-PenAcm-OH, D-Valine,3-[[(acetylamino)methyl]thio]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, C23H26N2O5S, AK308993, PubChem19003, CTK4E3418, KS-00000GAP, DTXSID50673985, (2S)-3-(acetamidomethylsulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoic acid, ZINC2517145, 6804AD, MFCD00151934, AKOS015837410, RTR-009384, ACM201531773, DS-11500, TR-009384, FT-0657735, (2S)-3-(acetamidomethylthio)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-butyric acid, 3-[(Acetamidomethyl)sulfanyl]-N-{[(9H-fluoren-9-yl)methoxy]carbonyl}-D-valine, D-Valine, 3-[[(acetylamino)methyl]thio]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, (2S)-3-(acetamidomethylsulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-butanoic acid, (2S)-3-(acetamidomethylthio)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-3-methylbutanoic acid, (2S)-3-[(acetamidomethyl)sulfanyl]-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-methylbutanoic acid, (S)-2-(((9H-fluoren-9-yl)methoxy)carbonylamino)-3-(acetamidomethylthio)-3-methylbutanoic acid, FMOC-D-PEN -OH,

Complexity	648
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	442.156g/mol
Formal Charge	0
Heavy Atom Count	31
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	442.53g/mol
Monoisotopic Mass	442.156g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	130A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

GHS Hazard and Precautionary Statements

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

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