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Search term: 10213850 (Found by CSID)
ChemSpider 2D Image | Complestatin | C61H45Cl6N7O15

Complestatin

  • Molecular FormulaC61H45Cl6N7O15
  • Average mass1328.766 Da
  • Monoisotopic mass1325.110474 Da
  • ChemSpider ID10213850

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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(2R)-({[(17R,20R,23R,26R,29S)-20,26-Bis(3,5-dichlor-4-hydroxyphenyl)-17-{[(3,5-dichlor-4-hydroxyphenyl)(oxo)acetyl]amino}-37-hydroxy-28-methyl-18,21,24,27-tetraoxo-2-oxa-13,19,22,25,28-pentaazahexacyc ;lo[29.2.2.13,7.18,12.05,23.011,15]heptatriaconta-1(33),3(37),4,6,8(36),9,11,14,31,34-decaen-29-yl]carbonyl}amino)(4-hydroxyphenyl)essigsäure [German] [ACD/IUPAC Name]
(2R)-({[(17R,20R,23R,26R,29S)-20,26-Bis(3,5-dichloro-4-hydroxyphenyl)-17-{[(3,5-dichloro-4-hydroxyphenyl)(oxo)acetyl]amino}-37-hydroxy-28-methyl-18,21,24,27-tetraoxo-2-oxa-13,19,22,25,28-pentaazahexac ;yclo[29.2.2.13,7.18,12.05,23.011,15]heptatriaconta-1(33),3(37),4,6,8(36),9,11,14,31,34-decaen-29-yl]carbonyl}amino)(4-hydroxyphenyl)acetic acid [ACD/IUPAC Name]
Acide (2R)-({[(17R,20R,23R,26R,29S)-20,26-bis(3,5-dichloro-4-hydroxyphényl)-17-{[2-(3,5-dichloro-4-hydroxyphényl)-2-oxoacétyl]amino}-37-hydroxy-28-méthyl-18,21,24,27-tétraoxo-2-oxa-13,19,22,25,28-pent ;aazahexacyclo[29.2.2.13,7.18,12.05,23.011,15]heptatriaconta-1(33),3(37),4,6,8(36),9,11,14,31,34-décaén-29-yl]carbonyl}amino)(4-hydroxyphényl)acétique [French] [ACD/IUPAC Name]
Complestatin
isocomplestatin
iso-Complestatin
(2R)-({[(17R,20R,23R,26R,29S)-20,26-bis(3,5-dichloro-4-hydroxyphenyl)-17-{[(3,5-dichloro-4-hydroxyphenyl)(oxo)acetyl]amino}-37-hydroxy-28-methyl-18,21,24,27-tetraoxo-2-oxa-13,19,22,25,28-pentaazahexacyclo[29.2.2.1(3,7).1(8,12).0(5,23).0(11,15)]heptatriaconta-1(33),3(37),4,6,8(36),9,11,14,31,34-decaen-29-yl]carbonyl}amino)(4-hydroxyphenyl)acetic acid
(2R)-({[(17R,20R,23R,26R,29S)-20,26-bis(3,5-dichloro-4-hydroxyphenyl)-17-{[(3,5-dichloro-4-hydroxyphenyl)(oxo)acetyl]amino}-37-hydroxy-28-methyl-18,21,24,27-tetraoxo-2-oxa-13,19,22,25,28-pentaazahexacyclo[29.2.2.13,7.18,12.05,23.011,15]heptatriaconta-1(33),3(37),4,6,8(36),9,11,14,31,34-decaen-29-yl]carbonyl}amino)(4-hydroxyphenyl)ethanoic acid (non-preferred name)
69598-75-0 [RN]
Chloropeptin II
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  • Miscellaneous

    • Chemical Class:

      A heterodetic cyclic peptide consisting of <element>N</element>-acylated trytophan, 3,5-dichloro-4-hydroxyphenylglycine, 4-hydroxyphenylglycine, 3,5-dichloro-4-hydroxyphenylglycyl, tyrosine and 4-hydr oxyphenylglycine residues joined in sequence and in which the side-chain of the central 4-hydroxyphenylglycine residue is attached to the side-chain of the tryptophan via a C3-C6 bond and to the side- chain of the tyrosine via an ether bond from C5. It is isolated from the culture broth of <ital>Streptomyces</ital> and has anti-HIV-1 activity. ChEBI CHEBI:65619, CHEBI:66093
      A heterodetic cyclic peptide consisting of N-acylated trytophan, 3,5-dichloro-4-hydroxyphenylglycine, 4-hydroxyphenylglycine, 3,5-dichloro-4-hydroxyphenylglycyl, tyrosine and 4-hydr; oxyphenylglycine residues joined in sequence and in which the side-chain of the central 4-hydroxyphenylglycine residue is attached to the side-chain of the tryptophan via a C3-C6 bond and to the side-chain of the tyro sine via an ether bond from C5. It is isolated from the culture broth of Streptomyces and has anti-HIV-1 activity. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:65619, https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:66093
      A heterodetic cyclic peptide consisting of N-acylated trytophan, 3,5-dichloro-4-hydroxyphenylglycine, 4-hydroxyphenylglycine, 3,5-dichloro-4-hydroxyphenylglycyl, tyrosine and 4-hydroxyphenylglycine re sidues joined in sequence and in which the side-chain of the central 4-hydroxyphenylglycine residue is attached to the side-chain of the tryptophan via a C3-C6 bond and to the side-chain of the tyrosi ne via an ether bond from C5. It is isolated from the culture broth of Streptomyces and has anti-HIV-1 activity. ChEBI CHEBI:65619, CHEBI:66093
      A heterodetic cyclic peptide which is a atropisomer of complestatin. It is isolated from the culture broth of <ital>Streptomyces</ital> and has anti-HIV-1 activity. ChEBI CHEBI:65619, CHEBI:66093
      A heterodetic cyclic peptide which is a atropisomer of complestatin. It is isolated from the culture broth of Streptomyces and has anti-HIV-1 activity. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:65619, CHEBI:65619, https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:66093, CHEBI:66093

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.799
Molar Refractivity: 323.9±0.4 cm3
#H bond acceptors: 22
#H bond donors: 12
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 4
ACD/LogP: 7.96
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 346 Å2
Polarizability: 128.4±0.5 10-24cm3
Surface Tension: 110.7±5.0 dyne/cm
Molar Volume: 758.6±5.0 cm3

Click to predict properties on the Chemicalize site


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