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148417-29-2 | L-Valinamide, N-[(phenylmethoxy)carbonyl]-L-valyl-N-octadecyl-
CAS No: 148417-29-2 Catalog No: AG001KX7 MDL No:
Product Description
Catalog Number:
AG001KX7
Chemical Name:
L-Valinamide, N-[(phenylmethoxy)carbonyl]-L-valyl-N-octadecyl-
CAS Number:
148417-29-2
Molecular Formula:
C36H63N3O4
Molecular Weight:
601.9031
IUPAC Name:
benzyl N-[(2S)-3-methyl-1-[[(2S)-3-methyl-1-(octadecylamino)-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]carbamate
InChI:
InChI=1S/C36H63N3O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-27-37-34(40)32(29(2)3)38-35(41)33(30(4)5)39-36(42)43-28-31-25-22-21-23-26-31/h21-23,25-26,29-30,32-33H,6-20,24,27-28H2,1-5H3,(H,37,40)(H,38,41)(H,39,42)/t32-,33-/m0/s1
InChI Key:
SUIFOBPPOHJJBF-LQJZCPKCSA-N
SMILES:
CCCCCCCCCCCCCCCCCCNC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)OCc1ccccc1
Properties
Complexity:
721
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
601.482g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
601.917g/mol
Monoisotopic Mass:
601.482g/mol
Rotatable Bond Count:
26
Topological Polar Surface Area:
96.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.7
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