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133657-68-8 | Z-PHE-PHE-ALDEHYDE SEMICARBAZONE
CAS No: 133657-68-8 Catalog No: AG009BEO MDL No:
Product Description
Catalog Number:
AG009BEO
Chemical Name:
Z-PHE-PHE-ALDEHYDE SEMICARBAZONE
CAS Number:
133657-68-8
IUPAC Name:
benzyl N-[(2S)-1-[[(1E,2S)-1-(carbamoylhydrazinylidene)-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
InChI:
InChI=1S/C27H29N5O4/c28-26(34)32-29-18-23(16-20-10-4-1-5-11-20)30-25(33)24(17-21-12-6-2-7-13-21)31-27(35)36-19-22-14-8-3-9-15-22/h1-15,18,23-24H,16-17,19H2,(H,30,33)(H,31,35)(H3,28,32,34)/b29-18+/t23-,24-/m0/s1
InChI Key:
HJPADCOIDQRKGA-VIJJQIEHSA-N
Properties
Complexity:
713
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
1
Exact Mass:
487.222g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
487.56g/mol
Monoisotopic Mass:
487.222g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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