AG000U99

130309-35-2 | 2-Thiophenepropanoic acid, α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (αS)-

AG000U99

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CAS Number	130309-35-2
Catalog Number	AG000U99(AGN-PC-0PJ74G)
Chemical Name	2-Thiophenepropanoic acid, α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (αS)-
IUPAC Name	(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-thiophen-2-ylpropanoic acid
InChI	InChI=1S/C22H19NO4S/c24-21(25)20(12-14-6-5-11-28-14)23-22(26)27-13-19-17-9-3-1-7-15(17)16-8-2-4-10-18(16)19/h1-11,19-20H,12-13H2,(H,23,26)(H,24,25)/t20-/m0/s1
InChI Key	PXBMQFMUHRNKTG-FQEVSTJZSA-N
MDL Number	MFCD00065676
Molecular Formula	C22H19NO4S
Molecular Weight	393.4556
SMILES	O=C(O)[C@@H](NC(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O)CC4=CC=CS4
Synonyms	Fmoc-L-2-Thienylalanine, 130309-35-2, Fmoc-3-Ala(2-thienyl)-OH, Fmoc-Thi-OH, Fmoc-L-thienylalanine, Fmoc-beta-(2-thienyl)-Ala-OH, (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(thiophen-2-yl)propanoic acid, (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-thienyl)propanoic acid, Fmoc-3-(2-thienyl)-L-alanine, AK-57355, Fmoc-2-Thi-OH, SCHEMBL119606, (R)-N-Fmoc-3-Thienylalanine, KS-00000GVL, PXBMQFMUHRNKTG-FQEVSTJZSA-N, ACT02302, ZINC2539233, ZX-AT014684, CF-377, MFCD00065676, AKOS015895572, AC-9988, AM83780, FL323-1, OR14644, AN-32344, DS-15456, Q861, Q866, ST24026519, ST50826320, Fmoc-beta-(2-thienyl)-Ala-OH, >=98.0%, Fmoc-Thi-OH pound notFmoc-3-Ala(2-thienyl)-OH, 309F352, J-005784, J-505180, N-(9H-Fluorene-9-ylmethoxycarbonyl)-3-(2-thienyl)-L-alanine, (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-thienyl)propionic acid, (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-thiophen-2-ylpropanoic acid, (2S)-2-[(fluoren-9-ylmethoxy)carbonylamino]-3-(2-thienyl)propanoic acid, (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-thiophen-2-yl-propanoic acid, (2S)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-3-thiophen-2-ylpropanoic acid, (2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-(thiophen-2-yl)propanoic acid, (s)-2-(((9h-fluoren-9-yl)methoxy)carbonylamino)-3-(thiophen-2-yl)propanoic acid, 2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(thiophen-3-yl)propanoic acid, 2-Thiophenepropanoic acid, alpha-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (alphaS)-, Fmoc-L-3-Thienylalanine, (S)-N-FMOC-2-Thienylalanine, (S)-N-Fmoc-3-Thienylalanine, C22H19NO4S, FMOC-D-3-THIENYLALANINE, Fmoc-L-3-(2-Thienyl)-L-alanine, CID7017916, 186320-06-9, (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)(thiophen-2-yl)amino)propanoic acid, 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-thiophen-2-yl-propanoic Acid, 220497-90-5, 201532-42-5,

Complexity	549
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	393.103g/mol
Formal Charge	0
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	393.457g/mol
Monoisotopic Mass	393.103g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	104A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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