AG002QX0

252049-08-4 | Butanoic acid, 2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-4-[[(phenylmethoxy)carbonyl]amino]-, (2S)-

AG002QX0

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CAS Number	252049-08-4
Catalog Number	AG002QX0(AGN-PC-0R0YME)
Chemical Name	Butanoic acid, 2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-4-[[(phenylmethoxy)carbonyl]amino]-, (2S)-
IUPAC Name	(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(phenylmethoxymethylamino)butanoic acid
InChI	InChI=1S/C27H28N2O5/c30-26(31)25(14-15-28-18-33-16-19-8-2-1-3-9-19)29-27(32)34-17-24-22-12-6-4-10-20(22)21-11-5-7-13-23(21)24/h1-13,24-25,28H,14-18H2,(H,29,32)(H,30,31)/t25-/m0/s1
InChI Key	KKUPBFMKUPMFRE-VWLOTQADSA-N
MDL Number	MFCD02259487
Molecular Formula	C27H28N2O5
Molecular Weight	460.5216
SMILES	O=C(O)[C@@H](NC(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O)CCNCOCC4=CC=CC=C4
Synonyms	252049-08-4, FMOC-DAB(Z)-OH, (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(((benzyloxy)methyl)amino)butanoic acid, (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(phenylmethoxymethylamino)butanoic acid, (2S)-4-{[(Benzyloxy)methyl]amino}-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanoic acid, AK-61251, CTK8B7873, DTXSID70743199, ANW-58836, ZINC82046922, AKOS016002136, FCH3612998, AJ-124617, AX8032878, TC-147581, FT-0771382, N-a-Fmoc-N-?-Z-L-2,4-diaminobutyric acid, (2S)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-4-(phenylmethoxymethylamino)butanoic acid, (2S)-4-(benzoxymethylamino)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butyric acid, (2S)-4-(benzyloxymethylamino)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid, MFCD02259487, 178924-05-5,

Complexity	631
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	460.2g/mol
Formal Charge	0
Heavy Atom Count	34
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	460.53g/mol
Monoisotopic Mass	460.2g/mol
Rotatable Bond Count	12
Topological Polar Surface Area	96.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

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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