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127944-49-4 | Nα-[O-Methyl-N-[[(3S,4R)-3,4-dihydroxypyrrolizino]carbonyl]-L-tyrosyl]-N-[(1S,2R)-1-(cyclohexylmethyl)-2-[(5S)-3-ethyl-2-oxo-5-oxazolidinyl]-2-hydroxyethyl]-L-histidinamide
CAS No: 127944-49-4 Catalog No: AG00A7B8 MDL No:
Product Description
Catalog Number:
AG00A7B8
Chemical Name:
Nα-[O-Methyl-N-[[(3S,4R)-3,4-dihydroxypyrrolizino]carbonyl]-L-tyrosyl]-N-[(1S,2R)-1-(cyclohexylmethyl)-2-[(5S)-3-ethyl-2-oxo-5-oxazolidinyl]-2-hydroxyethyl]-L-histidinamide
CAS Number:
127944-49-4
IUPAC Name:
(3R,4S)-N-[(2S)-1-[[(2S)-1-[[(1R,2S)-3-cyclohexyl-1-[(5S)-3-ethyl-2-oxo-1,3-oxazolidin-5-yl]-1-hydroxypropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3,4-dihydroxypyrrolidine-1-carboxamide
InChI:
InChI=1S/C35H51N7O9/c1-3-41-19-30(51-35(41)49)31(45)25(13-21-7-5-4-6-8-21)38-33(47)27(15-23-16-36-20-37-23)39-32(46)26(14-22-9-11-24(50-2)12-10-22)40-34(48)42-17-28(43)29(44)18-42/h9-12,16,20-21,25-31,43-45H,3-8,13-15,17-19H2,1-2H3,(H,36,37)(H,38,47)(H,39,46)(H,40,48)/t25-,26-,27-,28-,29+,30-,31+/m0/s1
InChI Key:
QDIKJNAKIBUDPQ-XJHZBCOISA-N
Properties
Complexity:
1160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
7
Defined Bond Stereocenter Count:
0
Exact Mass:
713.375g/mol
Formal Charge:
0
Heavy Atom Count:
51
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
713.833g/mol
Monoisotopic Mass:
713.375g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
219A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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