AG00I4BD

220497-50-7 | 2-Thiophenepropanoicacid, 5-bromo-a-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-,(aS)-

AG00I4BD

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CAS Number	220497-50-7
Catalog Number	AG00I4BD(AGN-PC-0QYLR4)
Chemical Name	2-Thiophenepropanoicacid, 5-bromo-a-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-,(aS)-
IUPAC Name	(2S)-3-(5-bromothiophen-2-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
InChI	InChI=1S/C22H18BrNO4S/c23-20-10-9-13(29-20)11-19(21(25)26)24-22(27)28-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-10,18-19H,11-12H2,(H,24,27)(H,25,26)/t19-/m0/s1
InChI Key	ABNLVFDGUSJGFG-IBGZPJMESA-N
MDL Number	MFCD01311745
Molecular Formula	C22H18BrNO4S
Molecular Weight	472.3516
SMILES	O=C(O)[C@@H](NC(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O)CC4=CC=C(Br)S4
Synonyms	220497-50-7, Fmoc-L-2-(5-bromothienyl)alanine, Fmoc-L-alpha-(5-bromothienyl)alanine, (S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-(5-bromothiophen-2-yl)propanoic acid, Fmoc-2-(5-Br)-Thiophenealanine, SCHEMBL5784487, CTK8E9953, (2S)-3-(5-bromothiophen-2-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid, ABNLVFDGUSJGFG-IBGZPJMESA-N, ZINC2243678, CF-643, MFCD01311745, AKOS015948900, FL512-1, Fmoc-3-(5-bromothien-2-yl)-L-alanine, ACM220497507, PS-12522, RT-012968, J-014446, N-(9-Fluorenylmethoxycarbonyl)-3-(5-bromo-2-thienyl)-L-alanine, (2S)-3-(5-bromanylthiophen-2-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid, (2S)-3-(5-bromo-2-thienyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid, (2S)-3-(5-bromo-2-thienyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propionic acid, (2S)-3-(5-bromo-2-thiophenyl)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]propanoic acid, 2-Thiophenepropanoicacid, 5-bromo-a-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-,(aS)-, FMOC-L-2- ALANINE, CID7006538, (S)-N-Fmoc-2-(5-bromothienyl)alanine, (S)-N-Fmoc-2-(5-bromothienyl)-alanine, (2R)-3-(5-bromothiophen-2-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic Acid,

Complexity	583
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	471.014g/mol
Formal Charge	0
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	472.353g/mol
Monoisotopic Mass	471.014g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	104A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.4

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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