(3R,4S)-N'-(N-3beta-Hydroxylup-20(29)-en-28-oyl)-8-aminooctanoyl)-4-amino-3-hydroxy-6-methylheptanoic acid
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(3R,4S)-N'-(N-3beta-Hydroxylup-20(29)-en-28-oyl)-8-aminooctanoyl)-4-amino-3-hydroxy-6-methylheptanoic acid
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CAS No:
174847-98-4
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Formula:
C46H78N2O6
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Chemical Name:
(3R,4S)-N'-(N-3beta-Hydroxylup-20(29)-en-28-oyl)-8-aminooctanoyl)-4-amino-3-hydroxy-6-methylheptanoic acid
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Synonyms:
IC 9564;IC9564;IC9564;IC-9564;174847-98-4;IC 9564;CHEMBL137752;SCHEMBL14369573;(3R,4S)-4-[8-[[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbonyl]amino]octanoylamino]-3-hydroxy-6-methylheptanoic acid;(3R,4S)-N'-(N-3beta-Hydroxylup-20(29)-en-28-oyl)-8-aminooctanoyl)-4-amino-3-hydroxy-6-methylheptanoic acid;Heptanoic acid, 3-hydroxy-4-((8-(((3beta)-3-hydroxy-28-oxolup-20(29)-en-28-yl)amino)-1-oxooctyl)amino)-6-methyl-, (R-(R*,S*))-;(3R,4S)-4-[8-[[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbonyl]amino]octanoylamino]-3-hydroxy-6-methyl-heptanoic acid;Heptanoic acid, 3-hydroxy-4-[[8-[[(3.beta.)-3-hydroxy-28-oxolup-20(29)-en-28-yl]amino]-1-oxooctyl]amino]-6-methyl-, (3R,4S)-
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CAS No:
(3R,4S)-N'-(N-3beta-Hydroxylup-20(29)-en-28-oyl)-8-aminooctanoyl)-4-amino-3-hydroxy-6-methylheptanoic acid Basic Attributes
755.1 g/mol
754.58598821 g/mol
Computed Properties
Molecular Weight:755.1
XLogP3:10
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:16
Exact Mass:754.58598821
Monoisotopic Mass:754.58598821
Topological Polar Surface Area:136
Heavy Atom Count:54
Complexity:1380
Defined Atom Stereocenter Count:12
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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