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Home> Encyclopedia > Hot Product Listed 6   > 6H-[1]Benzopyrano[4',3':4,5]pyrrolo[2,1-a]isoquinolin-6-one,14-(3,4-dihydroxyphenyl)-8,9-dihydro-2,1...
1356847-56-7 structure

6H-[1]Benzopyrano[4',3':4,5]pyrrolo[2,1-a]isoquinolin-6-one,14-(3,4-dihydroxyphenyl)-8,9-dihydro-2,11-dihydroxy-3,12-dimethoxy-

Iupac Name:(2R,4R)-1-[(2S)-5-(diaminomethylideneamino)-2-[[3-(trideuteriomethyl)-1,2,3,4-tetrahydroquinolin-8-yl]sulfonylamino]pentanoyl]-4-methylpiperidine-2-carboxylic acid
CAS No.:1356847-56-7
Molecular Weight:511.656
Molecular Formula:C16H18O9 (isomer)
Names and Identifiers
Synonyms

Lamellarine Z LamellarinZ

Inchi
InChI=1S/C23H36N6O5S/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19/h3,5,7,14-15,17-18,27-28H,4,6,8-13H2,1-2H3,(H,31,32)(H4,24,25,26)/t14-,15?,17+,18-/m1/s1/i2D3
InChkey
KXNPVXPOPUZYGB-HKEDOSAWSA-N
Canonical Smiles
CC1CCN(C(C1)C(=O)O)C(=O)C(CCCN=C(N)N)NS(=O)(=O)C2=CC=CC3=C2NCC(C3)C
Properties
Density
1.122
Boiling Point
430°C at 760 mmHg
Computational chemical data
  • Molecular Weight:511.656g/mol
  • Molecular Formula:C16H18O9
  • Compound Is Canonicalized:True
  • Exact Mass:511.266
  • Monoisotopic Mass:511.266
  • Complexity:887
  • Rotatable Bond Count:9
  • Hydrogen Bond Donor Count:5
  • Hydrogen Bond Acceptor Count:8
  • Topological Polar Surface Area:189A^2
  • Heavy Atom Count:35
  • Defined Atom Stereocenter Count:3
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:3
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcfB7uABAAAAAAAAAAAAAAAAAAAAAAAA8WIAAAAAAAACxAAAAHgQQSAAADSjB2AQzyYPAAgKo AiXSfHDCABEhAAAIiJ2IRIgKYDLAkbGUYAhklgDYyAeYycAOAAAAgAACAQAAAAEAAAQCAAAAAAAA AA==
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