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1397003-62-1

1397003-62-1 structural image
Product Name: 2-[(TERT-BUTOXYCARBONYL)AMINO]-3-((2-[2-((1-[(4-METHYLPHENYL)SULFONYL]-1H-INDOL-4-YL)OXY)ETHOXY]ETHYL)SULFANYL)PROPANOIC ACID
Formula: C27H34N2O8S2
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COMPUTED DESCRIPTORS

Molecular Weight 578.7 g/mol
XLogP3 4.4
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 15
Exact Mass 578.17565839 g/mol
Monoisotopic Mass 578.17565839 g/mol
Topological Polar Surface Area 167 Ų
Heavy Atom Count 39
Formal Charge 0
Complexity 896
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes