Chem
J-GLOBAL ID：200907054859544013   Nikkaji number：J1.157.194H

Papuamide C

パプアミドC
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： C66H102N12O21
Molecular formula furigana： C66-H102-N12-O21
Molecular weight： 1399.605
InChI： InChI=1S/C66H102N12O21/c1-16-33(5)26-34(6)21-24-47(82)66(12,96)65(95)69-30-49(84)74-51(38(10)79)59(89)71-41(17-2)57(87)75-50(35(7)36(8)55(67)85)58(88)76-52-54(32(3)4)99-64(94)44-20-18-19-25-78(44)63(93)42(27-40-22-23-45(81)46(28-40)98-15)72-61(91)53(39(11)80)77(13)62(92)37(9)70-48(83)29-68-56(86)43(31-97-14)73-60(52)90/h17,21-24,26,28,32-33,35-39,42-44,47,50-54,79-82,96H,16,18-20,25,27,29-31H2,1-15H3,(H2,67,85)(H,68,86)(H,69,95)(H,70,83)(H,71,89)(H,72,91)(H,73,90)(H,74,84)(H,75,87)(H,76,88)/b24-21-,34-26+,41-17?/t33?,35-,36+,37-,38-,39-,42-,43?,44-,47?,50-,51+,52+,53?,54?,66?/m0/s1
InChI key： QWJYTYHFVRFNAB-GONFUIELSA-N
SMILES： CCC(C)/C=C(\C)/C=C\C(O)C(C)(O)C(=O)NCC(=O)N[C@H]([C@H](C)O)C(=O)NC(=CC)C(=O)N[C@@H]([C@@H](C)[C@@H](C)C(=O)N)C(=O)N[C@@H]1C(OC(=O)[C@@H]2CCCCN2C(=O)[C@H](Cc2ccc(O)c(OC)c2)NC(=O)C([C@H](C)O)N(C)C(=O)[C@H](C)NC(=O)CNC(=O)C(COC)NC1=O)C(C)C
Systematic name  (3)：
  • シクロ[Gly-L-Ala-N-メチル-D-Thr-3-メトキシ-L-Tyr-L-Hpr-[N-[N-[(4Z,6E)-1-オキソ-2,6,8-トリメチル-2,3-ジヒドロキシ-4,6-デカジエニル]-Gly-D-Thr-3-メチル-ΔAla-[(3S,4R)-3,4-ジメチル-L-Gln-]]-3-ヒドロキシ*-D-Leu-]-3-メトキシ-D-Ala-]
  • (2S,3S,4R)-N-[(4R,7R,13S,16R,19S,25aS)-19-[(4-ヒドロキシ-3-メトキシフェニル)メチル]-16-[(1S)-1-ヒドロキシエチル]-7-(メトキシメチル)-13,15-ジメチル-1,5,8,11,14,17,20-ヘプタオキソ-3-(プロパン-2-イル)-テトラコサヒドロピリド[2,1-c]1-オキサ-4,7,10,13,16,19-ヘキサアザシクロドコサン-4-イル]-2-{2-[(2R,3S)-2-{2-[(4Z,6E)-2,3-ジヒドロキシ-2,6,8-トリメチルデカ-4,6-ジエンアミド]アセトアミド}-3-ヒドロキシブタンアミド]ブタ-2-エンアミド}-3,4-ジメチルペンタンジアミド
  • (2S,3S,4R)-N-[(4R,7R,13S,16R,19S,25aS)-19-[(4-hydroxy-3-methoxyphenyl)methyl]-16-[(1S)-1-hydroxyethyl]-7-(methoxymethyl)-13,15-dimethyl-1,5,8,11,14,17,20-heptaoxo-3-(propan-2-yl)-tetracosahydropyrido[2,1-c]1-oxa-4,7,10,13,16,19-hexaazacyclodocosan-4-yl]-2-{2-[(2R,3S)-2-{2-[(4Z,6E)-2,3-dihydroxy-2,6,8-trimethyldeca-4,6-dienamido]acetamido}-3-hydroxybutanamido]but-2-enamido}-3,4-dimethylpentanediamide
Other name (3)：
  • Cyclo[Gly-L-Ala-N-methyl-D-Thr-3-methoxy-L-Tyr-L-Hpr-[N-[N-[(4Z,6E)-1-oxo-2,6,8-trimethyl-2,3-dihydroxy-4,6-decadienyl]-Gly-D-Thr-3-methyl-ΔAla-[(3S,4R)-3,4-dimethyl-L-Gln-]]-3-hydroxy*-D-Leu-]-3-methoxy-D-Ala-]
  • パプアミドC
  • Papuamide C
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