Chem
J-GLOBAL ID：200907051852227285   Nikkaji number：J1.488.158A

Nostocyclopeptide A3

ノストシクロペプチドA3
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C41H56N8O9
Molecular formula furigana： C41-H56-N8-O9
Molecular weight： 804.946
InChI： InChI=1S/C41H56N8O9/c1-5-25(4)36-40(57)47-32(22-50)41(58)49-21-24(3)16-33(49)39(56)45-28(17-26-8-6-23(2)7-9-26)19-43-31(18-27-10-12-29(51)13-11-27)37(54)44-20-35(53)46-30(38(55)48-36)14-15-34(42)52/h6-13,19,24-25,28,30-33,36,50-51H,5,14-18,20-22H2,1-4H3,(H2,42,52)(H,44,54)(H,45,56)(H,46,53)(H,47,57)(H,48,55)/t24-,25-,28-,30+,31-,32-,33-,36-/m0/s1
InChI key： IFBHVTFUCLENGH-LJLGRGJKSA-N
SMILES： CC[C@H](C)[C@@H]1NC(=O)[C@@H](CCC(=O)N)NC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)N=C[C@H](Cc2ccc(C)cc2)NC(=O)[C@@H]2C[C@H](C)CN2C(=O)[C@H](CO)NC1=O
Systematic name  (3)：
  • シクロ[D-Gln-L-Ile-3-ヒドロキシ-L-Ala-4α-メチル-L-Pro-[(S)-2-[[(S)-2-アミノ*-3-(4-メチルフェニル)プロピリデン]アミノ]-3-(4-ヒドロキシフェニル)プロピオニル]-Gly-]
  • 3-[(3S,6S,12R,15S,18S,22S,23aS)-15-[(2S)-ブタン-2-イル]-18-(ヒドロキシメチル)-6-[(4-ヒドロキシフェニル)メチル]-22-メチル-3-[(4-メチルフェニル)メチル]-1,7,10,13,16,19-ヘキサオキソ-1H,2H,3H,6H,7H,8H,9H,10H,11H,12H,13H,14H,15H,16H,17H,18H,19H,21H,22H,23H,23aH-ピロロ[1,2-a]1,4,7,10,13,16,19-ヘプタアザシクロヘンイコサン-12-イル]プロパンアミド
  • 3-[(3S,6S,12R,15S,18S,22S,23aS)-15-[(2S)-butan-2-yl]-18-(hydroxymethyl)-6-[(4-hydroxyphenyl)methyl]-22-methyl-3-[(4-methylphenyl)methyl]-1,7,10,13,16,19-hexaoxo-1H,2H,3H,6H,7H,8H,9H,10H,11H,12H,13H,14H,15H,16H,17H,18H,19H,21H,22H,23H,23aH-pyrrolo[1,2-a]1,4,7,10,13,16,19-heptaazacyclohenicosan-12-yl]propanamide
Other name (3)：
  • Cyclo[D-Gln-L-Ile-3-hydroxy-L-Ala-4α-methyl-L-Pro-[(S)-2-[[(S)-2-amino*-3-(4-methylphenyl)propylidene]amino]-3-(4-hydroxyphenyl)propionyl]-Gly-]
  • ノストシクロペプチドA3
  • Nostocyclopeptide A3
KEGG COMPOUND： C15725
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