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Scytalidamide B

  • Formula: C51H69N7O7

  • Molecular weight: 892.10

  • Smiles: CC1CCN2C1C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C2=O)CC(C)C)CC3=CC=CC=C3)CC4=CC=CC=C4)C)CC5=CC=CC=C5)(C)C)CC(C)C)C

  • Type: Cycloheptapeptide

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Scytalidamide B

Names
Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
Fungi

Names

  • Mycotoxin name: Scytalidamide B

  • First synonym: None

  • Synonyms: Scytalidamide B,CHEBI:66457,(3S,9S,12S,15S,18S,23S,23aS)-9,12,15-tribenzyl-2,6,6,11,23-pentamethyl-3,18-bis(2-methylpropyl)hexadecahydro-1H-pyrrolo[1,2-a][1,4,7,10,13,16,19]heptaazacyclohenicosine-1,4,7,10,13,16,19-heptone,cyclo[2-methyl-D-alanyl-L-phenylalanyl-N-methyl-L-phenylalanyl-L-phenylalanyl-L-leucyl-(3S)-3-methyl-L-prolyl-N-methyl-L-leucyl],(3S,6S,9S,12S,18S,21S,22S)-6,9,12-tribenzyl-10,15,15,19,22-pentamethyl-3,18-bis(2-methylpropyl)-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosane-2,5,8,11,14,17,20-heptone,(3S,6S,9S,12S,18S,21S,22S)-6,9,12-tribenzyl-10,15,15,19,22-pentamethyl-3,18-bis(2-methylpropyl)-1,4,7,10,13,16,19-heptazabicyclo(19.3.0)tetracosane-2,5,8,11,14,17,20-heptone,(3S,9S,12S,15S,18S,23S,23AS)-9,12,15-tribenzyl-2,6,6,11,23-pentamethyl-3,18-bis(2-methylpropyl)hexadecahydro-1H-pyrrolo(1,2-a)(1,4,7,10,13,16,19)heptaazacyclohenicosine-1,4,7,10,13,16,19-heptone,cyclo(2-methyl-D-alanyl-L-phenylalanyl-N-methyl-L-phenylalanyl-L-phenylalanyl-L-leucyl-(3S)-3-methyl-L-prolyl-N-methyl-L-leucyl),Q27135018

Identifiers / External links

Structure

  • Smiles: CC1CCN2C1C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C2=O)CC(C)C)CC3=CC=CC=C3)CC4=CC=CC=C4)C)CC5=CC=CC=C5)(C)C)CC(C)C)C

  • Isomeric smiles: C[C@H]1CCN2[C@@H]1C(=O)N([C@H](C(=O)NC(C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@H](C2=O)CC(C)C)CC3=CC=CC=C3)CC4=CC=CC=C4)C)CC5=CC=CC=C5)(C)C)CC(C)C)C

  • Inchi: InChI=1S/C51H69N7O7/c1-32(2)27-39-48(63)58-26-25-34(5)43(58)49(64)57(9)41(28-33(3)4)46(61)55-51(6,7)50(65)54-40(30-36-21-15-11-16-22-36)47(62)56(8)42(31-37-23-17-12-18-24-37)45(60)52-38(44(59)53-39)29-35-19-13-10-14-20-35/h10-24,32-34,38-43H,25-31H2,1-9H3,(H,52,60)(H,53,59)(H,54,65)(H,55,61)/t34-,38-,39-,40-,41-,42-,43-/m0/s1

  • Inchikey: BZXAVUYDKXXNPV-DKTNFYNISA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C51H69N7O7

  • Molecular weight: 892.10

  • Monoisotopic mass: 891.52584757

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Fungi

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