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30743-27-2 | L-Proline, 1-[3,5-bis(acetylethylamino)-2,4,6-triiodobenzoyl]-
CAS No: 30743-27-2 Catalog No: AG00314D MDL No:
Product Description
Catalog Number:
AG00314D
Chemical Name:
L-Proline, 1-[3,5-bis(acetylethylamino)-2,4,6-triiodobenzoyl]-
CAS Number:
30743-27-2
Molecular Formula:
C20H24I3N3O5
Molecular Weight:
767.1351
IUPAC Name:
(2S)-1-[3,5-bis[acetyl(ethyl)amino]-2,4,6-triiodobenzoyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C20H24I3N3O5/c1-5-24(10(3)27)17-14(21)13(19(29)26-9-7-8-12(26)20(30)31)15(22)18(16(17)23)25(6-2)11(4)28/h12H,5-9H2,1-4H3,(H,30,31)/t12-/m0/s1
InChI Key:
SLIREUGSVVXHJN-LBPRGKRZSA-N
SMILES:
CC(=O)CCNc1c(I)c(NCCC(=O)C)c(c(c1I)C(=O)N1CCC[C@H]1C(=O)O)I
Properties
Complexity:
688
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
766.885g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
767.141g/mol
Monoisotopic Mass:
766.885g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
98.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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