AG00227V

180675-08-5 | L-Aspartic acid, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 4-(1-ethyl-1-methylpropyl) ester

AG00227V

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CAS Number	180675-08-5
Catalog Number	AG00227V(AGN-PC-0QBTX1)
Chemical Name	L-Aspartic acid, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 4-(1-ethyl-1-methylpropyl) ester
IUPAC Name	(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(3-methylpentan-3-yloxy)-4-oxobutanoic acid
InChI	InChI=1S/C25H29NO6/c1-4-25(3,5-2)32-22(27)14-21(23(28)29)26-24(30)31-15-20-18-12-8-6-10-16(18)17-11-7-9-13-19(17)20/h6-13,20-21H,4-5,14-15H2,1-3H3,(H,26,30)(H,28,29)/t21-/m0/s1
InChI Key	SYGKUYKLHYQKPL-NRFANRHFSA-N
MDL Number	MFCD10001333
Molecular Formula	C25H29NO6
Molecular Weight	439.5009
SMILES	C1=CC=CC=2C3=CC=CC=C3C(C12)COC(=O)N[C@H](C(=O)O)CC(=O)OC(CC)(CC)C
Synonyms	Fmoc-Asp(Ompe)-OH, 180675-08-5, MFCD10001333, DTXSID00718532, ZINC71788150, AKOS016014514, DS-6844, ACM180675085, AJ-118550, AX8252018, ST24047233, L-Aspartic acid,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 4-(1-ethyl-1-methylpropyl) ester, N-(9H-Fluoren-9-ylmethoxycarbonyl)-L-aspartic acid 4-(1-methyl-1-ethylpropyl) ester, (2S)-2-({[(9H-Fluoren-9-yl)methoxy]carbonyl}amino)-4-[(3-methylpentan-3-yl)oxy]-4-oxobutanoic acid (non-preferred name),

Complexity	653
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	439.199g/mol
Formal Charge	0
Heavy Atom Count	32
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	439.508g/mol
Monoisotopic Mass	439.199g/mol
Rotatable Bond Count	11
Topological Polar Surface Area	102A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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