Chem
J-GLOBAL ID：201007065835551496   Nikkaji number：J2.795.756K

Nostopeptolide A2

ノストペプトリドA2
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： C52H78N10O14
Molecular formula furigana： C52-H78-N10-O14
Molecular weight： 1067.252
InChI： InChI=1S/C52H78N10O14/c1-9-11-42(66)60-45(29(6)7)49(72)59-37-26-76-52(75)38-12-10-17-61(38)50(73)36(21-31-13-15-32(63)16-14-31)58-47(70)35(22-41(53)65)56-44(68)24-54-46(69)34(19-28(4)5)55-43(67)23-40(64)33(18-27(2)3)57-48(71)39-20-30(8)25-62(39)51(37)74/h13-16,27-30,33-39,45,63H,9-12,17-26H2,1-8H3,(H2,53,65)(H,54,69)(H,55,67)(H,56,68)(H,57,71)(H,58,70)(H,59,72)(H,60,66)/t30-,33-,34-,35-,36-,37-,38-,39-,45-/m0/s1
InChI key： UEVIIAJOLZZKQH-PFARYBADSA-N
SMILES： CCCC(=O)N[C@@H](C(C)C)C(=O)N[C@H]1COC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(=O)N)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2C[C@H](C)CN2C1=O
Systematic name  (3)：
  • (3S,7S,9S,12S,17S,23S,26S,32S)-3-[(N-ブチリル-L-Val-)アミノ]-23-(カルバモイルメチル)-26-(4-ヒドロキシベンジル)-12,17-ジイソブチル-7-メチル-5,9:28,32-ジシクロ-1-オキサ-5,11,16,19,22,25,28-ヘプタアザシクロトリトリアコンタン-4,10,13,15,18,21,24,27,33-ノナオン
  • (2S)-2-ブタンアミド-N-[(3S,7S,13S,16S,22S,27S,30S,32S)-16-(カルバモイルメチル)-13-[(4-ヒドロキシフェニル)メチル]-32-メチル-22,27-ビス(2-メチルプロピル)-2,6,12,15,18,21,24,26,29-ノナオキソ-5-オキサ-1,11,14,17,20,23,28-ヘプタアザトリシクロ[28.3.0.07,11]トリトリアコンタン-3-イル]-3-メチルブタンアミド
  • (2S)-2-butanamido-N-[(3S,7S,13S,16S,22S,27S,30S,32S)-16-(carbamoylmethyl)-13-[(4-hydroxyphenyl)methyl]-32-methyl-22,27-bis(2-methylpropyl)-2,6,12,15,18,21,24,26,29-nonaoxo-5-oxa-1,11,14,17,20,23,28-heptaazatricyclo[28.3.0.07,11]tritriacontan-3-yl]-3-methylbutanamide
Other name (3)：
  • (3S,7S,9S,12S,17S,23S,26S,32S)-3-[(N-Butyryl-L-Val-)amino]-23-(carbamoylmethyl)-26-(4-hydroxybenzyl)-12,17-diisobutyl-7-methyl-5,9:28,32-dicyclo-1-oxa-5,11,16,19,22,25,28-heptaazacyclotritriacontane-4,10,13,15,18,21,24,27,33-nonaone
  • Nostopeptolide A2
  • ノストペプトリドA2
KEGG COMPOUND： C15698
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