AG0025OD

177966-60-8 | Benzo[b]thiophene-3-propanoic acid, α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (αS)-

AG0025OD

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CAS Number	177966-60-8
Catalog Number	AG0025OD(AGN-PC-0QB8HZ)
Chemical Name	Benzo[b]thiophene-3-propanoic acid, α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (αS)-
IUPAC Name	(2S)-3-(1-benzothiophen-3-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
InChI	InChI=1S/C26H21NO4S/c28-25(29)23(13-16-15-32-24-12-6-5-7-17(16)24)27-26(30)31-14-22-20-10-3-1-8-18(20)19-9-2-4-11-21(19)22/h1-12,15,22-23H,13-14H2,(H,27,30)(H,28,29)/t23-/m0/s1
InChI Key	BQIZNDWONIMCGM-QHCPKHFHSA-N
MDL Number	MFCD00672562
Molecular Formula	C26H21NO4S
Molecular Weight	443.5142
SMILES	O=C(O)[C@H](CC1=CSC2=CC=CC=C12)NC(OCC4C3=CC=CC=C3C5=CC=CC=C45)=O
Synonyms	177966-60-8, Fmoc-L-3-Benzothienylalanine, Fmoc-3-Ala(3-benzothienyl)-OH, Fmoc-L-3-(3-Benzothienyl)alanine, Fmoc-beta-(3-benzothienyl)-Ala-OH, Fmoc-L-3-Benzothienylala, MFCD00672562, Fmoc-beta-(3-benzothienyl)-L-alanine, Fmoc-L3-Benzothienylalanine, (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(benzo[b]thiophen-3-yl)propanoic acid, (2S)-3-(1-benzothiophen-3-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid, (2S)-3-(1-benzothiophen-3-yl)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid, (2S)-3-(benzothiophen-3-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid, Fmoc-L-3-(3-Benzothienyl)-alanine, AK163617, AC1MC51J, SCHEMBL6790172, Fmoc--(3-benzothienyl)-L-alanine, ZINC4218169, ZX-AT014681, Fmoc-3-(3-benzothienyl)-L-alanine, CF-387, AKOS015837218, AKOS015912201, AC-9642, CS-W011596, FL150-1, OR14640, KS-00000J09, AN-30667, PS-12138, AX8018927, TL8006237, FT-0655901, 966F608, I14-3612, I14-3613, (2S)-3-(1-benzothien-3-yl)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid, (2S)-3-(1-benzothiophen-3-yl)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]propanoic acid, (2S)-3-(benzothiophen-3-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propionic acid, (S)-2-(((9H-fluoren-9-yl)methoxy)carbonylamino)-3-(benzo[b]thiophen-3-yl)propanoic acid, Benzo[b]thiophene-3-propanoic acid, alpha-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (alphaS)-, BQIZNDWONIMCGM-QHCPKHFHSA-N, 3-(3-Benzothienyl)-N-Fmoc-L-alanine, ACN-036759, CID2761478, 3-benzothiophen-3-yl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic Acid, 177966-61-9,

Complexity	665
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	443.119g/mol
Formal Charge	0
Heavy Atom Count	32
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	443.517g/mol
Monoisotopic Mass	443.119g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	104A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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