Chem
J-GLOBAL ID：200907001786354788   Nikkaji number：J431.689D

Polyphemusin II

ポリフェムシンII
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： C108H161N37O20S4
Molecular formula furigana： C108-H161-N37-O20-S4
Molecular weight： 2425.960
InChI： InChI=1S/C108H161N37O20S4/c1-59(2)86-103(165)144-84-58-169-168-56-82(142-94(156)76(48-60-20-5-3-6-21-60)130-85(148)54-129-89(151)71(27-11-13-41-109)133-95(157)78(139-102(84)164)50-62-33-37-65(146)38-34-62)100(162)138-79(51-63-35-39-66(147)40-36-63)97(159)135-74(31-18-46-126-107(119)120)90(152)134-72(28-12-14-42-110)92(154)141-81(99(161)131-70(87(112)149)29-16-44-124-105(115)116)55-166-167-57-83(101(163)137-77(49-61-22-7-4-8-23-61)96(158)136-75(93(155)145-86)32-19-47-127-108(121)122)143-98(160)80(52-64-53-128-69-26-10-9-24-67(64)69)140-91(153)73(30-17-45-125-106(117)118)132-88(150)68(111)25-15-43-123-104(113)114/h3-10,20-24,26,33-40,53,59,68,70-84,86,128,146-147H,11-19,25,27-32,41-52,54-58,109-111H2,1-2H3,(H2,112,149)(H,129,151)(H,130,148)(H,131,161)(H,132,150)(H,133,157)(H,134,152)(H,135,159)(H,136,158)(H,137,163)(H,138,162)(H,139,164)(H,140,153)(H,141,154)(H,142,156)(H,143,160)(H,144,165)(H,145,155)(H4,113,114,123)(H4,115,116,124)(H4,117,118,125)(H4,119,120,126)(H4,121,122,127)
InChI key： NAHBVNMACPIHAH-UHFFFAOYSA-N
SMILES： CC(C)C1NC(=O)C(CCCNC(=N)N)NC(=O)C(Cc2ccccc2)NC(=O)C(CSSCC(NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C2CSSCC(NC1=O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CCCCN)C(=O)NCC(=O)NC(Cc1ccccc1)C(=O)N2)C(=O)NC(CCCNC(=N)N)C(=O)N)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCCNC(=N)N)NC(=O)C(N)CCCNC(=N)N
Systematic name  (3)：
  • Arg-Arg-Trp-Cys(1)-Phe-Arg-Val-Cys(2)-Tyr-Lys-Gly-Phe-Cys(2)-Tyr-Arg-Lys-Cys(1)-Arg-NH2
  • 2-アミノ-N-{1-[(1-{[21,39-ビス(4-アミノブチル)-10,33-ジベンジル-18-[(4-カルバムイミドアミド-1-カルバモイルブチル)カルバモイル]-7,24-ビス(3-カルバムイミドアミドプロピル)-27,42-ビス[(4-ヒドロキシフェニル)メチル]-3,6,9,12,20,23,26,29,32,35,38,41,44-トリデカオキソ-4-(プロパン-2-イル)-15,16,46,47-テトラチア-2,5,8,11,19,22,25,28,31,34,37,40,43-トリデカアザビシクロ[28.14.4]オクタテトラコンタン-13-イル]カルバモイル}-2-(1H-インドール-3-イル)エチル)カルバモイル]-4-カルバムイミドアミドブチル}-5-カルバムイミドアミドペンタンアミド
  • 2-amino-N-{1-[(1-{[21,39-bis(4-aminobutyl)-10,33-dibenzyl-18-[(4-carbamimidamido-1-carbamoylbutyl)carbamoyl]-7,24-bis(3-carbamimidamidopropyl)-27,42-bis[(4-hydroxyphenyl)methyl]-3,6,9,12,20,23,26,29,32,35,38,41,44-tridecaoxo-4-(propan-2-yl)-15,16,46,47-tetrathia-2,5,8,11,19,22,25,28,31,34,37,40,43-tridecaazabicyclo[28.14.4]octatetracontan-13-yl]carbamoyl}-2-(1H-indol-3-yl)ethyl)carbamoyl]-4-carbamimidamidobutyl}-5-carbamimidamidopentanamide
Other name (2)：
  • ポリフェムシンII
  • Polyphemusin II
CAS registry number： 125139-68-6
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM