AG00D89G

501015-28-7 | Fmoc-(s)-3-amino-3-(2-methoxy-phenyl)-propionic acid

AG00D89G

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CAS Number	501015-28-7
Catalog Number	AG00D89G(AGN-PC-0OB6IX)
Chemical Name	Fmoc-(s)-3-amino-3-(2-methoxy-phenyl)-propionic acid
IUPAC Name	(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-methoxyphenyl)propanoic acid
InChI	InChI=1S/C25H23NO5/c1-30-23-13-7-6-12-20(23)22(14-24(27)28)26-25(29)31-15-21-18-10-4-2-8-16(18)17-9-3-5-11-19(17)21/h2-13,21-22H,14-15H2,1H3,(H,26,29)(H,27,28)/t22-/m0/s1
InChI Key	JMHQFXYSVGDAGJ-QFIPXVFZSA-N
MDL Number	MFCD03427974
Molecular Formula	C25H23NO5
Molecular Weight	417.4538
SMILES	O=C(O)C[C@H](NC(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O)C4=CC=CC=C4OC
Synonyms	501015-28-7, Fmoc-(S)-3-Amino-3-(2-methoxy-phenyl)-propionic acid, (S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(2-methoxyphenyl)propanoic acid, Fmoc-(S)-3-amino-3-(2-methoxyphenyl)propionic acid, Fmoc-(S)- 3-Amino-3-(2-methoxyphenyl)-propionic acid, Fmoc-?-Phe(2-Ome)-OH, PubChem24044, AC1ODZL4, CTK4J2151, DTXSID40427494, ZINC2585867, 6842AB, MFCD03427974, AKOS016843725, AB15270, CF-1233, AC-25430, ACM501015287, AJ-43627, AK114952, BBV-38260309, PS-12477, AX8130765, RT-012823, A-7306, Fmoc-(S)-3-Amino-3-(2-methoxyphenyl)-propionic acid, fmoc-(S)-3-amino-3-(2-methoxy-phenyl)-propionic acid, AldrichCPR, (3S)-3-({[(9H-Fluoren-9-yl)methoxy]carbonyl}amino)-3-(2-methoxyphenyl)propanoic acid, (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-methoxyphenyl)propanoic acid, (3S)-3-[(FLUOREN-9-YLMETHOXY)CARBONYLAMINO]-3-(2-METHOXYPHENYL)PROPANOIC ACID, C25H23NO5, CID7023341, (3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-methoxyphenyl)propanoic Acid,

Complexity	603
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	417.158g/mol
Formal Charge	0
Heavy Atom Count	31
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	417.461g/mol
Monoisotopic Mass	417.158g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	84.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.1

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