methyl 4-[[5-[[(2S)-3-methyl-2-[(3-methylbenzoyl)amino]butanoyl]amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate
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methyl 4-[[5-[[(2S)-3-methyl-2-[(3-methylbenzoyl)amino]butanoyl]amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate
structure -
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CAS No:
956368-20-0
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Formula:
C24H26N4O4S2
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Chemical Name:
methyl 4-[[5-[[(2S)-3-methyl-2-[(3-methylbenzoyl)amino]butanoyl]amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate
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Synonyms:
ZINC3359039;AKOS034827520;MCULE-3496234855;Z57024541;956368-20-0;methyl 4-[({5-[(2S)-3-methyl-2-[(3-methylphenyl)formamido]butanamido]-1,3,4-thiadiazol-2-yl}sulfanyl)methyl]benzoate
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CAS No:
methyl 4-[[5-[[(2S)-3-methyl-2-[(3-methylbenzoyl)amino]butanoyl]amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Basic Attributes
498.6 g/mol
498.13954767 g/mol
Computed Properties
Molecular Weight:498.6
XLogP3:4.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:10
Exact Mass:498.13954767
Monoisotopic Mass:498.13954767
Topological Polar Surface Area:164
Heavy Atom Count:34
Complexity:703
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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