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67978-24-9 | (2R)-3-Iodomethyl-2-[(1R,5S)-7-oxo-3-(p-tolyl)-4-oxa-2,6-diazabicyclo[3.2.0]hept-2-en-6-yl]-3-butenoic acid diphenylmethyl ester
CAS No: 67978-24-9 Catalog No: AG00FZD0 MDL No:
Product Description
Catalog Number:
AG00FZD0
Chemical Name:
(2R)-3-Iodomethyl-2-[(1R,5S)-7-oxo-3-(p-tolyl)-4-oxa-2,6-diazabicyclo[3.2.0]hept-2-en-6-yl]-3-butenoic acid diphenylmethyl ester
CAS Number:
67978-24-9
IUPAC Name:
benzhydryl (2R)-3-(iodomethyl)-2-[(1R,5S)-3-(4-methylphenyl)-7-oxo-4-oxa-2,6-diazabicyclo[3.2.0]hept-2-en-6-yl]but-3-enoate
InChI:
InChI=1S/C29H25IN2O4/c1-18-13-15-22(16-14-18)26-31-23-27(33)32(28(23)36-26)24(19(2)17-30)29(34)35-25(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,23-25,28H,2,17H2,1H3/t23-,24+,28-/m0/s1
InChI Key:
LXNCUWXILQETOT-JPYHZWLXSA-N
Properties
Complexity:
837
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
592.086g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
592.433g/mol
Monoisotopic Mass:
592.086g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
68.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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