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192726-05-9 | 1(2H)-Pyrimidineacetamide, N-[(1S,3S,4S)-4-amino-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]tetrahydro-α-(1-methylethyl)-2-oxo-, (αS)-
CAS No: 192726-05-9 Catalog No: AG002G9G MDL No:
Product Description
Catalog Number:
AG002G9G
Chemical Name:
1(2H)-Pyrimidineacetamide, N-[(1S,3S,4S)-4-amino-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]tetrahydro-α-(1-methylethyl)-2-oxo-, (αS)-
CAS Number:
192726-05-9
Molecular Formula:
C27H38N4O3
Molecular Weight:
466.6156
IUPAC Name:
(2S)-N-[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide
InChI:
InChI=1S/C27H38N4O3/c1-19(2)25(31-15-9-14-29-27(31)34)26(33)30-22(16-20-10-5-3-6-11-20)18-24(32)23(28)17-21-12-7-4-8-13-21/h3-8,10-13,19,22-25,32H,9,14-18,28H2,1-2H3,(H,29,34)(H,30,33)/t22-,23-,24-,25-/m0/s1
InChI Key:
PSXHIAOZPOGORP-QORCZRPOSA-N
SMILES:
N[C@H]([C@H](C[C@H](Cc1ccccc1)NC(=O)[C@@H](N1CCCNC1=O)C(C)C)O)Cc1ccccc1
UNII:
395TR49R7C
Properties
Complexity:
631
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
466.294g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
466.626g/mol
Monoisotopic Mass:
466.294g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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