AG00H2U3

877069-25-5 | (2S,4R)-1-((S)-2-((Cyclopentyloxy)carbonyl)-3,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid

AG00H2U3

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CAS Number	877069-25-5
Catalog Number	AG00H2U3(AGN-PC-0OL7SM)
Chemical Name	(2S,4R)-1-((S)-2-((Cyclopentyloxy)carbonyl)-3,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
IUPAC Name	(2S,4R)-1-[(2S)-2-cyclopentyloxycarbonyl-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
InChI	InChI=1S/C17H27NO6/c1-17(2,3)13(16(23)24-11-6-4-5-7-11)14(20)18-9-10(19)8-12(18)15(21)22/h10-13,19H,4-9H2,1-3H3,(H,21,22)/t10-,12+,13+/m1/s1
InChI Key	SDOGPIGJXDYBIY-WXHSDQCUSA-N
MDL Number	MFCD28125613
Molecular Formula	C17H27NO6
Molecular Weight	341.3994
SMILES	O=C([C@H]1N(C([C@@H](C(OC2CCCC2)=O)C(C)(C)C)=O)C[C@H](O)C1)O
Synonyms	877069-25-5, (2S,4R)-1-((S)-2-((Cyclopentyloxy)carbonyl)-3,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid, (2S,4R)-1-((S)-2-(cyclopentyloxycarbonyl)-3,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid, AK160978, KS-00000SK7, MFCD28125613, ZINC98181718, AKOS024462380, DS-9822, AJ-142825, AX8293988, ST24034144, SDOGPIGJXDYBIY-WXHSDQCUSA-N,

Complexity	506
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Exact Mass	341.184g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	341.404g/mol
Monoisotopic Mass	341.184g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	104A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

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

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