AG00BYED

374791-01-2 | Benzenepropanoic acid, b-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-3-nitro-,(bS)-

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CAS Number	374791-01-2
Catalog Number	AG00BYED(AGN-PC-0RDZUU)
Chemical Name	Benzenepropanoic acid, b-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-3-nitro-,(bS)-
IUPAC Name	(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(3-nitrophenyl)propanoic acid
InChI	InChI=1S/C24H20N2O6/c27-23(28)13-22(15-6-5-7-16(12-15)26(30)31)25-24(29)32-14-21-19-10-3-1-8-17(19)18-9-2-4-11-20(18)21/h1-12,21-22H,13-14H2,(H,25,29)(H,27,28)/t22-/m0/s1
InChI Key	SFZOBIQWMMCMFE-QFIPXVFZSA-N
MDL Number	MFCD01631072
Molecular Formula	C24H20N2O6
Molecular Weight	432.4254
SMILES	O=C(O)C[C@H](NC(OCC1C2=CC=CC=C2C3=CC=CC=C13)=O)C4=CC=CC([N+]([O-])=O)=C4
Synonyms	Fmoc-(S)-3-amino-3-(3-nitrophenyl)propanoic acid, 374791-01-2, Fmoc-(S)-3-Amino-3-(3-nitro-phenyl)-propionic acid, Fmoc-(R)-3-Amino-3-(3-nirtophenyl)propionic acid, (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(3-nitrophenyl)propanoic Acid, Fmoc-(S)-3-amino-3-(3-nitrophenyl)propionic acid, Fmoc-?-Phe(3-NO2)-OH, AK117570, PubChem17342, Fmoc-S-3-Amino-3-(3-nirto-phenyl)-propionic acid, AC1MC17U, SCHEMBL7706322, KS-00000JC7, ZINC2381561, MFCD01631072, CF-1223, DS-5029, AC-22057, AJ-34695, AN-28657, AX8020519, TL80073866, A-8776, 529F578, fmoc-(S)-3-amino-3-(3-nitro-phenyl)-propionic acid, AldrichCPR, (R)-N-(9-Fluorenylmethyloxycarbonyl)-3-amino-3-(3-nirtophenyl)propionic acid, (S)-3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-(3-nitrophenyl)propanoic acid, CID2734473, 374791-04-5, Benzenepropanoic acid, b-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-3-nitro-,(bS)-, 206060-42-6, 734529-57-8,

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-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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