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Scytalidamide A

  • Formula: C50H67N7O7

  • Molecular weight: 878.10

  • Smiles: CC(C)CC1C(=O)N2CCCC2C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)N1)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 A

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

Names

  • Mycotoxin name: Scytalidamide A

  • First synonym: None

  • Synonyms: Scytalidamide A,CHEBI:66456,(3S,9S,12S,15S,18S,23aS)-9,12,15-tribenzyl-2,6,6,11-tetramethyl-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-L-prolyl-N-methyl-L-leucyl),(3S,6S,9S,12S,18S,21S)-6,9,12-tribenzyl-10,15,15,19-tetramethyl-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)-6,9,12-tribenzyl-10,15,15,19-tetramethyl-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,23AS)-9,12,15-tribenzyl-2,6,6,11-tetramethyl-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,Q27135017

Identifiers / External links

Structure

  • Smiles: CC(C)CC1C(=O)N2CCCC2C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)N1)CC3=CC=CC=C3)CC4=CC=CC=C4)C)CC5=CC=CC=C5)(C)C)CC(C)C)C

  • Isomeric smiles: CC(C)C[C@H]1C(=O)N2CCC[C@H]2C(=O)N([C@H](C(=O)NC(C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N1)CC3=CC=CC=C3)CC4=CC=CC=C4)C)CC5=CC=CC=C5)(C)C)CC(C)C)C

  • Inchi: InChI=1S/C50H67N7O7/c1-32(2)27-38-47(62)57-26-18-25-40(57)48(63)56(8)41(28-33(3)4)45(60)54-50(5,6)49(64)53-39(30-35-21-14-10-15-22-35)46(61)55(7)42(31-36-23-16-11-17-24-36)44(59)51-37(43(58)52-38)29-34-19-12-9-13-20-34/h9-17,19-24,32-33,37-42H,18,25-31H2,1-8H3,(H,51,59)(H,52,58)(H,53,64)(H,54,60)/t37-,38-,39-,40-,41-,42-/m0/s1

  • Inchikey: SQMTYAXLBXITMO-UJKKYYSESA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C50H67N7O7

  • Molecular weight: 878.10

  • Monoisotopic mass: 877.5101975

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Fungi

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