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78058-38-5 | L-Prolinamide, 5-oxo-L-prolyl-L-leucyl-N-[2-(dimethylamino)ethyl]-
CAS No: 78058-38-5 Catalog No: AG005DOQ MDL No:
Product Description
Catalog Number:
AG005DOQ
Chemical Name:
L-Prolinamide, 5-oxo-L-prolyl-L-leucyl-N-[2-(dimethylamino)ethyl]-
CAS Number:
78058-38-5
Molecular Formula:
C20H35N5O4
Molecular Weight:
409.5230
IUPAC Name:
(2S)-N-[(2S)-1-[(2S)-2-[2-(dimethylamino)ethylcarbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide
InChI:
InChI=1S/C20H35N5O4/c1-13(2)12-15(23-18(27)14-7-8-17(26)22-14)20(29)25-10-5-6-16(25)19(28)21-9-11-24(3)4/h13-16H,5-12H2,1-4H3,(H,21,28)(H,22,26)(H,23,27)/t14-,15-,16-/m0/s1
InChI Key:
KVAYYGBYALDBBP-JYJNAYRXSA-N
SMILES:
CC(C[C@@H](C(=O)N1CCC[C@H]1C(=O)NCCN(C)C)NC(=O)[C@@H]1CCC(=O)N1)C
Properties
Complexity:
622
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
409.269g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
409.531g/mol
Monoisotopic Mass:
409.269g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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