Chem
J-GLOBAL ID：200907032950056672   Nikkaji number：J1.893.572D

N-Ac-S-[(2E,6E)-3,7,11-Trimethyl-2,6,10-dodecatrienyl]-L-Cys-L-Val-L-Ile-L-Met-OH

N-Ac-S-[(2E,6E)-3,7,11-トリメチル-2,6,10-ドデカトリエニル]-L-Cys-L-Val-L-Ile-L-Met-OH
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： C36H62N4O6S2
Molecular formula furigana： C36-H62-N4-O6-S2
Molecular weight： 711.030
InChI： InChI=1S/C36H62N4O6S2/c1-11-27(8)32(35(44)38-29(36(45)46)19-20-47-10)40-34(43)31(24(4)5)39-33(42)30(37-28(9)41)22-48-21-18-26(7)17-13-16-25(6)15-12-14-23(2)3/h14,16,18,24,27,29-32H,11-13,15,17,19-22H2,1-10H3,(H,37,41)(H,38,44)(H,39,42)(H,40,43)(H,45,46)/b25-16+,26-18+/t27-,29-,30-,31-,32-/m0/s1
InChI key： LZZSZMJTHYOSLN-UNXIWMFYSA-N
SMILES： CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CSC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)NC(=O)C)C(C)C)C(=O)N[C@@H](CCSC)C(=O)O
Systematic name  (3)：
  • N-Ac-S-[(2E,6E)-3,7,11-トリメチル-2,6,10-ドデカトリエニル]-L-Cys-L-Val-L-Ile-L-Met-OH
  • (2S)-2-[(2S,3S)-2-[(2S)-2-[(2R)-2-アセトアミド-3-{[(2E,6E)-3,7,11-トリメチルドデカ-2,6,10-トリエン-1-イル]スルファニル}プロパンアミド]-3-メチルブタンアミド]-3-メチルペンタンアミド]-4-(メチルスルファニル)ブタン酸
  • (2S)-2-[(2S,3S)-2-[(2S)-2-[(2R)-2-acetamido-3-{[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]sulfanyl}propanamido]-3-methylbutanamido]-3-methylpentanamido]-4-(methylsulfanyl)butanoic acid
Other name (1)：
  • N-Ac-S-[(2E,6E)-3,7,11-Trimethyl-2,6,10-dodecatrienyl]-L-Cys-L-Val-L-Ile-L-Met-OH
Thsaurus map：
Thesaurus Map

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