AG002A5Q

205528-32-1 | 4-Thiazolepropanoic acid, α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (αS)-

AG002A5Q

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CAS Number	205528-32-1
Catalog Number	AG002A5Q(AGN-PC-0QVDNY)
Chemical Name	4-Thiazolepropanoic acid, α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (αS)-
IUPAC Name	(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1,3-thiazol-4-yl)propanoic acid
InChI	InChI=1S/C21H18N2O4S/c24-20(25)19(9-13-11-28-12-22-13)23-21(26)27-10-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,11-12,18-19H,9-10H2,(H,23,26)(H,24,25)/t19-/m0/s1
InChI Key	LSBAZFASKHLHKB-IBGZPJMESA-N
MDL Number	MFCD00672568
Molecular Formula	C21H18N2O4S
Molecular Weight	394.4436
SMILES	O=C(O)[C@@H](NC(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O)CC4=CSC=N4
Synonyms	205528-32-1, (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(thiazol-4-yl)propanoic acid, Fmoc-beta-(4-thiazolyl)-Ala-OH, Fmoc-L-(4-thiazolyl)-Alanine, N-Fmoc-3-(4-thiazolyl)-L-alanine, MFCD00672568, (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1,3-thiazol-4-yl)propanoic Acid, Fmoc-3-(4-Thiazoyl)-L-alanine, AK114784, Fmoc-4-Thi-OH, AC1ODU2G, fmoc-3-4-thiazolyl-l-alanine, SCHEMBL3728699, CTK8E9957, KS-00000GAW, Fmoc-|A-(4-thiazolyl)-Ala-OH, LSBAZFASKHLHKB-IBGZPJMESA-N, Fmoc-3-(4-Thiazolyl)-L-alanine, ZINC2567695, ZX-AT014677, CF-741, AKOS015912101, N-Fmoc-3-(4-Thiazol yl)-L-alanine, DS-3898, FL118-1, OR14636, ACM205528321, AJ-41458, AX8001312, RT-013045, FT-0651654, ST50826323, Fmoc-beta-(4-thiazolyl)-Ala-OH, >=98.0%, 528F321, I14-3627, I14-3628, J-013418, 4-Thiazolepropanoicacid,a-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-,(as)-, (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-thiazol-4-yl-propanoic acid, (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-thiazol-4-yl-propionic acid, (2S)-2-[(fluoren-9-ylmethoxy)carbonylamino]-3-(1,3-thiazol-4-yl)propanoic acid, (2S)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-3-(4-thiazolyl)propanoic acid, (2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-(1,3-thiazol-4-yl)propanoic acid, 4-Thiazolepropanoic acid, alpha-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (alphaS)-, Fmoc-L-4-Thiazolylalanine, Fmoc-D-thiazolylalanine, Fmoc-3-(4-thiazolyl)-Alanine, Fmoc-L-3-(4-Thiazolyl)-alanine, ACN-036754, CID7020858, 205528-33-2,

Complexity	553
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	394.099g/mol
Formal Charge	0
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	394.445g/mol
Monoisotopic Mass	394.099g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	117A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.7

GHS Hazard and Precautionary Statements

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

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