AG001R7M

159610-82-9 | 4-Pentenoic acid, 2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-5-phenyl-, [S-(E)]- (9CI)

AG001R7M

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CAS Number	159610-82-9
Catalog Number	AG001R7M(AGN-PC-0Q7OPH)
Chemical Name	4-Pentenoic acid, 2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-5-phenyl-, [S-(E)]- (9CI)
IUPAC Name	(E,2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-phenylpent-4-enoic acid
InChI	InChI=1S/C26H23NO4/c28-25(29)24(16-8-11-18-9-2-1-3-10-18)27-26(30)31-17-23-21-14-6-4-12-19(21)20-13-5-7-15-22(20)23/h1-15,23-24H,16-17H2,(H,27,30)(H,28,29)/b11-8+/t24-/m0/s1
InChI Key	ZFMHHKMOLFNMMV-DDVUFSRBSA-N
MDL Number	MFCD01311748
Molecular Formula	C26H23NO4
Molecular Weight	413.4651
SMILES	O=C(O)[C@@H](NC(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O)C/C=C/C4=CC=CC=C4
Synonyms	Fmoc-L-Styrylalanine, 215190-24-2, (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-5-phenylpent-4-enoic acid, Fmoc-3-styryl-L-alanine, 159610-82-9, J-501830, (E,2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-phenyl-pent-4-enoic acid, (E,2S)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-5-phenyl-4-pentenoic acid, Fmoc-Ala(styryl)-OH, Fmoc-|A-styryl-Ala-OH, Fmoc-beta-styryl-Ala-OH, SCHEMBL120671, ZINC2243681, CF-381, MFCD01311748, AC-9973, FL374-1, AJ-34368, AK114790, PS-12154, AX8019379, RT-012882, ST50826342, (S)-2-(Fmoc-amino)-5-phenyl-4-pentenoicacid, Fmoc-beta-styryl-Ala-OH, >=98.0% (HPLC), A815445, (4E)(2S)-2-[(fluoren-9-ylmethoxy)carbonylamino]-5-phenylpent-4-enoic acid, (E,2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-phenylpent-4-enoic acid, (2S)-2-{[(9H-FLUOREN-9-YLMETHOXY)CARBONYL]AMINO}-5-PHENYLPENT-4-ENOIC ACID, (E)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-5-phenylpent-4-enoic acid, Fmoc-3-styryl-D-alanine, CID7006540, 2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-phenyl-pent-4-enoic Acid, (S,E)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-5-phenylpent-4-enoic acid, 215190-23-1,

Complexity	619
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	1
Exact Mass	413.163g/mol
Formal Charge	0
Heavy Atom Count	31
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	413.473g/mol
Monoisotopic Mass	413.163g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H320-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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