AG0039V4

186320-06-9 | Fmoc-3-Ala(3-thienyl)-OH

AG0039V4

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CAS Number	186320-06-9
Catalog Number	AG0039V4(AGN-PC-0QFAQJ)
Chemical Name	Fmoc-3-Ala(3-thienyl)-OH
IUPAC Name	(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-thiophen-3-ylpropanoic acid
InChI	InChI=1S/C22H19NO4S/c24-21(25)20(11-14-9-10-28-13-14)23-22(26)27-12-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-10,13,19-20H,11-12H2,(H,23,26)(H,24,25)/t20-/m0/s1
InChI Key	LSBZJMRHROCYGY-FQEVSTJZSA-N
MDL Number	MFCD00151916
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=CSC=C4
Synonyms	186320-06-9, Fmoc-L-3-Thienylalanine, fmoc-3-ala(3-thienyl)-oh, (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(thiophen-3-yl)propanoic acid, Fmoc-beta-(3-thienyl)-Ala-OH, MFCD00151916, Fmoc-3-(3-thienyl)-L-alanine, (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-thiophen-3-ylpropanoic acid, N-Fmoc-3-(4-thienyl)-L-alanine, Fmoc-D-3-(3-Thienyl)-alanine, Fmoc-L-3-(3-Thienyl)alanine, AK114775, fmoc-(3)thg-oh, Fmoc-3-Thi-OH, fmoc-(3-thienyl)gly-oh, fmoc-ala(3-thienyl)-oh, N-Fmoc-3-(4-Thienyl, AC1MC16C, SCHEMBL118362, KS-00000GVR, fmoc-beta-(3-thienyl)-l-alanine, ZINC4218200, ZX-AT014687, CF-379, AKOS015948713, AC-9994, CS-W016748, FL357-1, OR14648, ACM186320069, AJ-49023, PS-12148, AX8001467, TL8006309, FT-0643773, ST50826319, 320F069, J-011958, Fmoc-beta-(3-thienyl)-Ala-OH, >=98.0% (HPLC), n-alpha-(9-fluorenylmethoxycarbonyl)-l-alpha-3-thienyl-glycine, (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(3-thienyl)propanoic acid, (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(3-thienyl)propionic acid, (2S)-2-[(fluoren-9-ylmethoxy)carbonylamino]-3-(3-thienyl)propanoic acid, (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-thiophen-3-yl-propanoic acid, (2S)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-3-(3-thiophenyl)propanoic acid, (2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-(thiophen-3-yl)propanoic acid, (S)-2-(((9H-fluoren-9-yl)methoxy)carbonylamino)-3-(thiophen-3-yl)propanoic acid, 3-Thiophenepropanoicacid,a-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-,(as)-, )-L-alanine, (S)-N-Fmoc-3-Thienylalanine, LSBZJMRHROCYGY-FQEVSTJZSA-N, ACN-043326, CID2734455, N-Fmoc-3-(3-thienyl)-L-alanine, 98% - 1G 1g, 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-thiophen-3-yl-propanoic Acid, 220497-90-5,

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	4.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H402
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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