AG00294Q

203854-62-0 | Benzenepropanoic acid, α-[[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]methyl]-, (αS)-

AG00294Q

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CAS Number	203854-62-0
Catalog Number	AG00294Q(AGN-PC-0QU2IP)
Chemical Name	Benzenepropanoic acid, α-[[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]methyl]-, (αS)-
IUPAC Name	(2S)-2-benzyl-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
InChI	InChI=1S/C25H23NO4/c27-24(28)18(14-17-8-2-1-3-9-17)15-26-25(29)30-16-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h1-13,18,23H,14-16H2,(H,26,29)(H,27,28)/t18-/m0/s1
InChI Key	NZMKXKRMTSBQFS-SFHVURJKSA-N
MDL Number	MFCD07372497
Molecular Formula	C25H23NO4
Molecular Weight	401.4544
SMILES	O=C(O)[C@@H](CC1=CC=CC=C1)CNC(OCC2C3=C(C4=C2C=CC=C4)C=CC=C3)=O
Synonyms	203854-62-0, (S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-benzylpropanoic acid, Fmoc-(S)-3-amino-2-benzylpropanoic acid, (S)-FMOC-BETA2-HOMOPHENYLALANINE, AK119209, BICR138, (2S)-2-benzyl-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid, DTXSID80514195, KS-00001G4P, 0450AB, MFCD07372497, ZINC33414777, (S)-2-BENZYL-3-(9H-FLUOREN-9-YLMETHOXYCARBONYLAMINO)-PROPIONIC ACID, AB34733, CX82946, Benzenepropanoic acid, alpha-[[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]methyl]-, (alphaS)-, AJ-86053, PS-13031, AX8244625, (S)-3-(N-Fmoc-amino)-2-benzylpropanoic acid, (2S)-2-Benzyl-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid, (2S)-2-benzyl-3-(9H-fluoren-9-ylmethoxycarbonylamino)propionic acid, (S)-2-Benzyl-3-[(9H-fluorene-9-ylmethoxycarbonyl)amino]propionic acid, (2S)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-3-phenyl-propanoic acid, (2S)-2-[[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]methyl]-3-phenylpropanoic acid, C25H23NO4, ACN-026040, (R)-3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-2-benzylpropanoic acid, 828254-16-6,

Complexity	566
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	401.163g/mol
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	401.462g/mol
Monoisotopic Mass	401.163g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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