Chem
J-GLOBAL ID：200907014450976394   Nikkaji number：J1.138.587G

T22

T22
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： C109H164N38O22S4
Molecular formula furigana： C109-H164-N38-O22-S4
Molecular weight： 2487.000
InChI： InChI=1S/C109H164N38O22S4/c110-40-6-3-17-72-90(155)131-54-87(152)132-78(48-59-24-32-64(148)33-25-59)96(161)146-85-57-172-171-56-84(102(167)140-79(97(162)135-72)49-60-26-34-65(149)35-27-60)145-95(160)74(19-5-8-42-112)137-92(157)77(23-13-47-129-109(123)124)139-99(164)81(51-62-30-38-67(151)39-31-62)142-104(169)86(147-100(165)82(52-63-53-130-70-16-2-1-14-68(63)70)143-93(158)75(21-11-45-127-107(119)120)134-89(154)69(113)15-9-43-125-105(115)116)58-173-170-55-83(101(166)133-71(88(114)153)20-10-44-126-106(117)118)144-94(159)73(18-4-7-41-111)136-91(156)76(22-12-46-128-108(121)122)138-98(163)80(141-103(85)168)50-61-28-36-66(150)37-29-61/h1-2,14,16,24-39,53,69,71-86,130,148-151H,3-13,15,17-23,40-52,54-58,110-113H2,(H2,114,153)(H,131,155)(H,132,152)(H,133,166)(H,134,154)(H,135,162)(H,136,156)(H,137,157)(H,138,163)(H,139,164)(H,140,167)(H,141,168)(H,142,169)(H,143,158)(H,144,159)(H,145,160)(H,146,161)(H,147,165)(H4,115,116,125)(H4,117,118,126)(H4,119,120,127)(H4,121,122,128)(H4,123,124,129)
InChI key： MJULKHZUJYASFR-UHFFFAOYSA-N
SMILES： NCCCCC1NC(=O)C(Cc2ccc(O)cc2)NC(=O)C2CSSCC(NC(=O)C(Cc3ccc(O)cc3)NC(=O)CNC1=O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CSSCC(NC(=O)C(Cc1c[nH]c3ccccc13)NC(=O)C(CCCNC(=N)N)NC(=O)C(N)CCCNC(=N)N)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)N2)C(=O)NC(CCCNC(=N)N)C(=O)N
Systematic name  (3)：
  • L-Arg-L-Arg-L-Trp-L-Cys(1)-L-Tyr-L-Arg-L-Lys-L-Cys(2)-L-Tyr-L-Lys-Gly-L-Tyr-L-Cys(2)-L-Tyr-L-Arg-L-Lys-L-Cys(1)-L-Arg-NH2
  • 2-アミノ-5-カルバムイミドアミド-N-(4-カルバムイミドアミド-1-{[2-(1H-インドール-3-イル)-1-{[4,21,39-トリス(4-アミノブチル)-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)-10,27,33,42-テトラキス[(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-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}エチル]カルバモイル}ブチル)ペンタンアミド
  • 2-amino-5-carbamimidamido-N-(4-carbamimidamido-1-{[2-(1H-indol-3-yl)-1-{[4,21,39-tris(4-aminobutyl)-18-[(4-carbamimidamido-1-carbamoylbutyl)carbamoyl]-7,24-bis(3-carbamimidamidopropyl)-10,27,33,42-tetrakis[(4-hydroxyphenyl)methyl]-3,6,9,12,20,23,26,29,32,35,38,41,44-tridecaoxo-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}ethyl]carbamoyl}butyl)pentanamide
Other name (3)：
  • T22
  • [Tyr5,12,Lys7]ポリフェムシンII
  • [Tyr5,12,Lys7]Polyphemusin II
CAS registry number： 147658-54-6
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