AG00I4CT

221352-74-5 | 1,2-Pyrrolidinedicarboxylic acid,4-[[(1,1-dimethylethoxy)carbonyl]amino]-, 1-(9H-fluoren-9-ylmethyl)ester, (2S,4S)-

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CAS Number	221352-74-5
Catalog Number	AG00I4CT(AGN-PC-0QYS57)
Chemical Name	1,2-Pyrrolidinedicarboxylic acid,4-[[(1,1-dimethylethoxy)carbonyl]amino]-, 1-(9H-fluoren-9-ylmethyl)ester, (2S,4S)-
IUPAC Name	(2S,4S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-2-carboxylic acid
InChI	InChI=1S/C25H28N2O6/c1-25(2,3)33-23(30)26-15-12-21(22(28)29)27(13-15)24(31)32-14-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,15,20-21H,12-14H2,1-3H3,(H,26,30)(H,28,29)/t15-,21-/m0/s1
InChI Key	FJEXPICLVWOJSE-BTYIYWSLSA-N
MDL Number	MFCD02179641
Molecular Formula	C25H28N2O6
Molecular Weight	452.4996
SMILES	O=C(N2[C@H]([C@](O)=O)C[C@H](NC(OC(C)(C)C)=O)C2)OCC3C1=C(C4=C3C=CC=C4)C=CC=C1
Synonyms	221352-74-5, (2S, 4S)-Boc-4-amino-1-fmoc-pyrrolidine-2-carboxylic acid, Boc-(2S,4S)-4-amino-1-Fmoc-pyrrolidine-2-carboxylic acid, AK175695, AC1MBSVR, SCHEMBL1937429, (2S,4S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-2-carboxylic acid, KS-00000T6K, MFCD02179641, ZINC14632625, AKOS025402651, FCH3937733, GS-5411, RT-011584, CS-0089867, Z5770, (2S,4S)-Foc-4-amino-1-Fmoc-pyrrolidine-2-carboxylic acid, AldrichCPR, (4S)-1-(9H-Fluorene-9-ylmethoxycarbonyl)-4alpha-(tert-butoxycarbonylamino)proline, (2S,4S)-1-(((9H-Fluoren-9-yl)methoxy)carbonyl)-4-((tert-butoxycarbonyl)amino)pyrrolidine-2-carboxylic acid, (2S,4S)-4-{[(TERT-BUTOXY)CARBONYL]AMINO}-1-{[(9H-FLUOREN-9-YL)METHOXY]CARBONYL}PYRROLIDINE-2-CARBOXYLIC ACID, 1,2-Pyrrolidinedicarboxylic acid,4-[[(1,1-dimethylethoxy)carbonyl]amino]-, 1-(9H-fluoren-9-ylmethyl)ester, (2S,4S)-, FJEXPICLVWOJSE-BTYIYWSLSA-N, C25H28N2O6, CID2756137, CID 2756137, -BOC-4-AMINO-1-FMOC-PYRROLIDINE-2-CARBOXYLICACID, (2S,4S)-Boc-4-amino-1-fmoc-pyrrolidine-2-carboxylic acid, (2S,4S)-Boc-4-amino-1-fmoc-pyrrolidine-2-carboxylicacid, 1,2-Pyrrolidinedicarboxylicacid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, 1-(9H-fluoren-9-ylmethyl)ester, (2S,4S)-,

Complexity	728
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	452.195g/mol
Formal Charge	0
Heavy Atom Count	33
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	452.507g/mol
Monoisotopic Mass	452.195g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	105A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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