AG00BCWG

270063-46-2 | Fmoc-(S)-3-Amino-4-(3-benzothienyl)-butyric acid

AG00BCWG

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CAS Number	270063-46-2
Catalog Number	AG00BCWG(AGN-PC-0R2WLK)
Chemical Name	Fmoc-(S)-3-Amino-4-(3-benzothienyl)-butyric acid
IUPAC Name	(3S)-4-(1-benzothiophen-3-yl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
InChI	InChI=1S/C27H23NO4S/c29-26(30)14-18(13-17-16-33-25-12-6-5-7-19(17)25)28-27(31)32-15-24-22-10-3-1-8-20(22)21-9-2-4-11-23(21)24/h1-12,16,18,24H,13-15H2,(H,28,31)(H,29,30)/t18-/m0/s1
InChI Key	AOUNLYYDVNQRKT-SFHVURJKSA-N
MDL Number	MFCD01861042
Molecular Formula	C27H23NO4S
Molecular Weight	457.5408
SMILES	O=C(O)C[C@@H](NC(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O)CC4=CSC5=CC=CC=C54
Synonyms	270063-46-2, Fmoc-(S)-3-Amino-4-(3-benzothienyl)-butyric acid, (S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(benzo[b]thiophen-3-yl)butanoic acid, Fmoc-(S)-3-Amino-4-(3-benzothienyl)butanoic acid, (3S)-4-(1-benzothiophen-3-yl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid, Fmoc-?-Homoala(3-benzothienyl)-OH, AC1MC5EA, ZINC2575631, MFCD01861042, AKOS015948903, CF-1178, Fmoc-(3-benzothienyl)-L-b-homoalanine, AC-22107, ACM270063462, AJ-42398, CC-28565, PS-12058, AX8001856, RT-012765, CS-0062196, FT-0644270, C-22566, Fmoc-(S)-3-Amino-4-(3-benzothienyl)butyric acid, (3S)-4-(1-benzothiophen-3-yl)-3-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]butanoic acid, (3S)-4-(1-benzothiophen-3-yl)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid, (3S)-4-(benzothiophen-3-yl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid, (3S)-4-(benzothiophen-3-yl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butyric acid, (S)-3-(((9H-fluoren-9-yl)methoxy)carbonylamino)-4-(benzo[b]thiophen-3-yl)butanoic acid, CID2761632, Fmoc-(3-benzothienyl)-L-beta-homoalanine, A-8280, Fmoc-(R)-3-amino-4-(3-cyanophenyl)-butyric acid, (3S)-4-benzothiophen-3-yl-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic Acid,

Complexity	680
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	457.135g/mol
Formal Charge	0
Heavy Atom Count	33
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	457.544g/mol
Monoisotopic Mass	457.135g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	104A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H332
Packing Group
Precautionary statements	P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
UN Code

Certificate of Analysis

Lot Number