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(2S,4R)-4-(Benzo[b]thiophen-3-ylmethyl)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acid

CAS No.:
959577-82-3
Catalog Number:
AG00IJM0
Molecular Formula:
C19H23NO4S
Molecular Weight:
361.4552
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Product Description
Catalog Number:
AG00IJM0
Chemical Name:
(2S,4R)-4-(Benzo[b]thiophen-3-ylmethyl)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acid
CAS Number:
959577-82-3
Molecular Formula:
C19H23NO4S
Molecular Weight:
361.4552
MDL Number:
MFCD06659454
IUPAC Name:
(2S,4R)-4-(1-benzothiophen-3-ylmethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C19H23NO4S/c1-19(2,3)24-18(23)20-10-12(9-15(20)17(21)22)8-13-11-25-16-7-5-4-6-14(13)16/h4-7,11-12,15H,8-10H2,1-3H3,(H,21,22)/t12-,15+/m1/s1
InChI Key:
SWPWGMSSMXIDPT-DOMZBBRYSA-N
SMILES:
O=C(N1C[C@@H](C[C@H]1C(=O)O)Cc1csc2c1cccc2)OC(C)(C)C
Properties
Complexity:
518  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
361.135g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
361.456g/mol
Monoisotopic Mass:
361.135g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
95.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  
Properties