AG00D897

507472-10-8 | Fmoc-(s)-3-amino-3-(1-naphthyl)-propionic acid

AG00D897

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CAS Number	507472-10-8
Catalog Number	AG00D897(AGN-PC-0OBECE)
Chemical Name	Fmoc-(s)-3-amino-3-(1-naphthyl)-propionic acid
IUPAC Name	(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-naphthalen-1-ylpropanoic acid
InChI	InChI=1S/C28H23NO4/c30-27(31)16-26(24-15-7-9-18-8-1-2-10-19(18)24)29-28(32)33-17-25-22-13-5-3-11-20(22)21-12-4-6-14-23(21)25/h1-15,25-26H,16-17H2,(H,29,32)(H,30,31)/t26-/m0/s1
InChI Key	YQHVLHLQDDNYKX-SANMLTNESA-N
MDL Number	MFCD03427990
Molecular Formula	C28H23NO4
Molecular Weight	437.4865
SMILES	O=C(O)C[C@H](NC(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O)C4=C5C=CC=CC5=CC=C4
Synonyms	Fmoc-(S)-3-Amino-3-(1-naphthyl)-propionic acid, 507472-10-8, (S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(naphthalen-1-yl)propanoic acid, AC1ODZNG, SCHEMBL14163324, (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-naphthalen-1-ylpropanoic acid, ZINC2585881, 7013AB, MFCD03427990, AB15305, ACM507472108, AJ-43637, AX8130758, A-8238, C28H23NO4, CID7023369, Fmoc-(S)-3-amino-3-(1-naphthyl)propionic acid, 3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-naphthalen-1-yl-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	437.163g/mol
Formal Charge	0
Heavy Atom Count	33
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	437.495g/mol
Monoisotopic Mass	437.163g/mol
Rotatable Bond Count	7
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-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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