AG002A5P

205528-33-2 | 4-Thiazolepropanoic acid, α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (αR)-

AG002A5P

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CAS Number	205528-33-2
Catalog Number	AG002A5P(AGN-PC-0QVDO7)
Chemical Name	4-Thiazolepropanoic acid, α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (αR)-
IUPAC Name	(2R)-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-/m1/s1
InChI Key	LSBAZFASKHLHKB-LJQANCHMSA-N
MDL Number	MFCD00672569
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	205528-33-2, FMOC-D-4-THIAZOLYLALANINE, (R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(thiazol-4-yl)propanoic acid, Fmoc-D-3-(4-Thiazolyl)-alanine, (R)-2-(FMOC-AMINO)-3-(THIAZOL-4-YL)PROPANIC ACID, (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1,3-thiazol-4-yl)propanoic acid, (2R)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-(1,3-thiazol-4-yl)propanoic acid, Fmoc-D-4-Thi-OH, AC1MC16F, SCHEMBL119593, ZINC2567696, ZX-AT014678, CF-742, MFCD00672569, Fmoc-D-4-thiazolylalanine, AldrichCPR, OR14637, ACM205528332, AJ-41459, AK114785, AS-30234, AX8001311, FT-0643919, 528F332, C-21616, 4-Thiazolepropanoicacid,a-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-,(ar)-, (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-thiazol-4-yl-propanoic acid, (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-thiazol-4-yl-propionic acid, (2R)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-3-(4-thiazolyl)propanoic acid, (R)-2-(((9H-fluoren-9-yl)methoxy)carbonylamino)-3-(thiazol-4-yl)propanoic acid, 4-Thiazolepropanoic acid, alpha-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (alphaR)-, Fmoc-D-thiazolylalanine, N-Fmoc-4-Thiazolyl-D-alanine, ACN-034158, CID2734456, (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1,3-thiazol-4-yl)propanoic Acid, 205528-32-1,

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

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