(2S,3R)-2-[[2-[[2-[3-(4-chlorophenyl)-5-methyl-7-oxofuro[3,2-g]chromen-6-yl]acetyl]amino]acetyl]amino]-3-methylpentanoic acid
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![(2S,3R)-2-[[2-[[2-[3-(4-chlorophenyl)-5-methyl-7-oxofuro[3,2-g]chromen-6-yl]acetyl]amino]acetyl]amino]-3-methylpentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/ea231fef60494ebda7237a55af5a6ac3.png "(2S,3R)-2-[[2-[[2-[3-(4-chlorophenyl)-5-methyl-7-oxofuro[3,2-g]chromen-6-yl]acetyl]amino]acetyl]amino]-3-methylpentanoic acid")
(2S,3R)-2-[[2-[[2-[3-(4-chlorophenyl)-5-methyl-7-oxofuro[3,2-g]chromen-6-yl]acetyl]amino]acetyl]amino]-3-methylpentanoic acid
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CAS No:
956193-07-0
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Formula:
C28H27ClN2O7
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Chemical Name:
(2S,3R)-2-[[2-[[2-[3-(4-chlorophenyl)-5-methyl-7-oxofuro[3,2-g]chromen-6-yl]acetyl]amino]acetyl]amino]-3-methylpentanoic acid
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Synonyms:
ZINC2113269;STL533560;AKOS030501788;MCULE-5272706919;956193-07-0;N-{[3-(4-chlorophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetyl}glycyl-L-isoleucine
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CAS No:
(2S,3R)-2-[[2-[[2-[3-(4-chlorophenyl)-5-methyl-7-oxofuro[3,2-g]chromen-6-yl]acetyl]amino]acetyl]amino]-3-methylpentanoic acid Basic Attributes
539.0 g/mol
538.1506789 g/mol
Computed Properties
Molecular Weight:539.0
XLogP3:4.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:538.1506789
Monoisotopic Mass:538.1506789
Topological Polar Surface Area:135
Heavy Atom Count:38
Complexity:961
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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