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141718-50-5 | L-Prolinamide, 1-(1-oxododecyl)-L-prolyl-L-histidyl- (9CI)
CAS No: 141718-50-5 Catalog No: AG001GX1 MDL No:
Product Description
Catalog Number:
AG001GX1
Chemical Name:
L-Prolinamide, 1-(1-oxododecyl)-L-prolyl-L-histidyl- (9CI)
CAS Number:
141718-50-5
Molecular Formula:
C28H46N6O4
Molecular Weight:
530.7026
IUPAC Name:
N-[1-(2-carbamoylpyrrolidin-1-yl)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-1-dodecanoylpyrrolidine-2-carboxamide
InChI:
InChI=1S/C28H46N6O4/c1-2-3-4-5-6-7-8-9-10-15-25(35)33-16-12-14-24(33)27(37)32-22(18-21-19-30-20-31-21)28(38)34-17-11-13-23(34)26(29)36/h19-20,22-24H,2-18H2,1H3,(H2,29,36)(H,30,31)(H,32,37)
InChI Key:
ZFYOXGUOHSHFBG-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N)Cc1c[nH]cn1
Properties
Complexity:
793
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
530.358g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
530.714g/mol
Monoisotopic Mass:
530.358g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
142A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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