AG00DBVP

507472-25-5 | FMOC-(S)-3-AMINO-3-(2-NITRO-PHENYL)-PROPIONIC ACID

AG00DBVP

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CAS Number	507472-25-5
Catalog Number	AG00DBVP(AGN-PC-0OBEDL)
Chemical Name	FMOC-(S)-3-AMINO-3-(2-NITRO-PHENYL)-PROPIONIC ACID
IUPAC Name	(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-nitrophenyl)propanoic acid
InChI	InChI=1S/C24H20N2O6/c27-23(28)13-21(19-11-5-6-12-22(19)26(30)31)25-24(29)32-14-20-17-9-3-1-7-15(17)16-8-2-4-10-18(16)20/h1-12,20-21H,13-14H2,(H,25,29)(H,27,28)/t21-/m0/s1
InChI Key	DRESTDPDCGPKNI-NRFANRHFSA-N
MDL Number	MFCD03428007
Molecular Formula	C24H20N2O6
Molecular Weight	432.4254
SMILES	O=C(O)C[C@H](NC(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O)C4=CC=CC=C4[N+]([O-])=O
Synonyms	507472-25-5, (S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(2-nitrophenyl)propanoic acid, Fmoc-(S)-3-Amino-3-(2-nitro-phenyl)-propionic acid, N-Fmoc-2-nitro-D-beta-phenylalanine, MFCD03428007, Fmoc-(S)- 3-Amino-3-(2-nitrophenyl)-propionic acid, Fmoc-D-beta-Phe(2-NO2)-OH, Fmoc-?-Phe(2-NO2)-OH, AK114968, AC1ODZPY, PubChem24027, SCHEMBL18281179, CTK4J3116, DTXSID10427507, (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-nitrophenyl)propanoic acid, KS-00000G9Z, ZINC2585896, 7023AB, CF-1221, AC-25403, ACM507472255, AJ-43650, AX8130768, TL80073859, A-7300, Fmoc-(S)-3-amino-3-(2-nitrophenyl)propionic acid, Fmoc-S-3-Amino-3-(2-nitro-phenyl)-propionic acid, (S)-3-(Fmoc-amino)-3-(2-nitrophenyl)propionic acid, Fmoc-(S)-3-Amino-3-(2-nitrophenyl)-propionic acid, (3S)-3-({[(9H-Fluoren-9-yl)methoxy]carbonyl}amino)-3-(2-nitrophenyl)propanoic acid, (3S)-3-[(FLUOREN-9-YLMETHOXY)CARBONYLAMINO]-3-(2-NITROPHENYL)PROPANOIC ACID, C24H20N2O6, CID7023399, FMOC- -3-AMINO-3- -PROPIONICACID, 3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-nitrophenyl)propanoic Acid,

Complexity	673
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	432.132g/mol
Formal Charge	0
Heavy Atom Count	32
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	432.432g/mol
Monoisotopic Mass	432.132g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	121A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

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