2-[4-[(2R,4S,5S)-4-hydroxy-2-[[(1S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylhexyl]phenoxy]acetic acid
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![2-[4-[(2R,4S,5S)-4-hydroxy-2-[[(1S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylhexyl]phenoxy]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/3e3a52ba019d4189ab1979baeab162de.png "2-[4-[(2R,4S,5S)-4-hydroxy-2-[[(1S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylhexyl]phenoxy]acetic acid")
2-[4-[(2R,4S,5S)-4-hydroxy-2-[[(1S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylhexyl]phenoxy]acetic acid
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CAS No:
139934-80-8
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Formula:
C35H42N2O8
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Chemical Name:
2-[4-[(2R,4S,5S)-4-hydroxy-2-[[(1S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylhexyl]phenoxy]acetic acid
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Synonyms:
L-694,746; Acetic acid,(4-(2-(((2,3-dihydro-2-hydroxy-1H-inden-1-yl)amino)carbonyl)-5-(((1,1-dimethylethoxy)carbonyl)amino)-4-hydroxy-6-phenylhexyl)phenoxy)-,(1S-(1alpha(2S*,4R*,5R*),2alpha)); 2-[4-[(2S,4S,5S)-4-hydroxy-2-[[(1S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylhexyl]phenoxy]acetic acid;
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CAS No:
2-[4-[(2R,4S,5S)-4-hydroxy-2-[[(1S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylhexyl]phenoxy]acetic acid Basic Attributes
618.71700
618.29411630
Computed Properties
Molecular Weight:618.7
XLogP3:4.4
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:15
Exact Mass:618.29411630
Monoisotopic Mass:618.29411630
Topological Polar Surface Area:154
Heavy Atom Count:45
Complexity:956
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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