Chem
J-GLOBAL ID：200907001833799947   Nikkaji number：J2.562.651F

Nukacin ISK-1

ヌカシンISK-1
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： C132H196N36O34S7
Molecular formula furigana： C132-H196-N36-O34-S7
Molecular weight： 3055.660
InChI： InChI=1S/C132H196N36O34S7/c1-12-70(9)105(166-129(198)102(67(3)4)163-100(173)57-141-108(177)90(58-169)156-111(180)80(38-25-28-45-135)146-110(179)79(37-24-27-44-134)145-107(176)77(136)36-23-26-43-133)131(200)168-46-29-39-97(168)126(195)167-106-71(10)209-208-64-96-123(192)151-86(51-75-55-139-65-142-75)116(185)148-82(42-47-203-11)113(182)153-88(53-99(138)172)118(187)159-92-60-204-205-61-93(124(193)157-91(59-170)132(201)202)161-125(194)94(62-206-207-63-95(162-128(197)104(69(7)8)165-130(106)199)122(191)152-87(52-76-56-140-66-143-76)117(186)154-89(54-101(174)175)119(188)160-96)158-109(178)78(13-2)144-114(183)84(49-73-32-19-15-20-33-73)155-127(196)103(68(5)6)164-120(189)85(50-74-34-21-16-22-35-74)149-112(181)81(40-41-98(137)171)147-115(184)83(150-121(92)190)48-72-30-17-14-18-31-72/h13-22,30-35,55-56,65-71,77,79-97,102-106,169-170H,12,23-29,36-54,57-64,133-136H2,1-11H3,(H2,137,171)(H2,138,172)(H,139,142)(H,140,143)(H,141,177)(H,144,183)(H,145,176)(H,146,179)(H,147,184)(H,148,185)(H,149,181)(H,150,190)(H,151,192)(H,152,191)(H,153,182)(H,154,186)(H,155,196)(H,156,180)(H,157,193)(H,158,178)(H,159,187)(H,160,188)(H,161,194)(H,162,197)(H,163,173)(H,164,189)(H,165,199)(H,166,198)(H,167,195)(H,174,175)(H,201,202)/b78-13-
InChI key： OILTWUVYJCBPHR-WDNYWCMISA-N
SMILES： CCC(C)C(NC(=O)C(NC(=O)CNC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(N)CCCCN)C(C)C)C(=O)N1CCCC1C(=O)NC1C(C)SSCC2NC(=O)C(CC(=O)O)NC(=O)C(Cc3c[nH]cn3)NC(=O)C(CSSCC3NC(=O)/C(=C/C)/NC(=O)C(Cc4ccccc4)NC(=O)C(NC(=O)C(Cc4ccccc4)NC(=O)C(CCC(=O)N)NC(=O)C(Cc4ccccc4)NC(=O)C(CSSCC(NC3=O)C(=O)NC(CO)C(=O)O)NC(=O)C(CC(=O)N)NC(=O)C(CCSC)NC(=O)C(Cc3c[nH]cn3)NC2=O)C(C)C)NC(=O)C(NC1=O)C(C)C
Systematic name  (3)：
  • Lys-Lys-Lys-Ser-Gly-Val-Ile-Pro-[(2S,3S)-2-アミノ*-3-メルカプト(1)ブタノイル]-Val-D-Cys(2)-His-αAsp-Cys(1)-His-Met-Asn-D-Cys(3)-Phe-Gln-Phe-Val-Phe-[(2Z)-2-アミノ*-2-ブテノイル]-Cys(2)-Cys(3)-Ser-OH
  • 2-{[(9Z)-44-[1-(2-{2-[2-(2-{6-アミノ-2-[6-アミノ-2-(2,6-ジアミノヘキサンアミド)ヘキサンアミド]ヘキサンアミド}-3-ヒドロキシプロパンアミド)アセトアミド]-3-メチルブタンアミド}-3-メチルペンタノイル)ピロリジン-2-アミド]-12,18,24-トリベンジル-21-(2-カルバモイルエチル)-30-(カルバモイルメチル)-55-(カルボキシメチル)-9-エチリデン-36,52-ビス[(1H-イミダゾール-4-イル)メチル]-43-メチル-33-[2-(メチルスルファニル)エチル]-8,11,14,17,20,23,26,29,32,35,38,45,48,50,53,56,64-ヘプタデカオキソ-15,47-ビス(プロパン-2-イル)-3,4,41,42,59,60-ヘキサチア-7,10,13,16,19,22,25,28,31,34,37,46,49,51,54,57,63-ヘプタデカアザトリシクロ[37.10.8.76,27]テトラヘキサコンタン-62-イル]ホルムアミド}-3-ヒドロキシプロパン酸
  • 2-{[(9Z)-44-[1-(2-{2-[2-(2-{6-amino-2-[6-amino-2-(2,6-diaminohexanamido)hexanamido]hexanamido}-3-hydroxypropanamido)acetamido]-3-methylbutanamido}-3-methylpentanoyl)pyrrolidine-2-amido]-12,18,24-tribenzyl-21-(2-carbamoylethyl)-30-(carbamoylmethyl)-55-(carboxymethyl)-9-ethylidene-36,52-bis[(1H-imidazol-4-yl)methyl]-43-methyl-33-[2-(methylsulfanyl)ethyl]-8,11,14,17,20,23,26,29,32,35,38,45,48,50,53,56,64-heptadecaoxo-15,47-bis(propan-2-yl)-3,4,41,42,59,60-hexathia-7,10,13,16,19,22,25,28,31,34,37,46,49,51,54,57,63-heptadecaazatricyclo[37.10.8.76,27]tetrahexacontan-62-yl]formamido}-3-hydroxypropanoic acid
Other name (3)：
  • Lys-Lys-Lys-Ser-Gly-Val-Ile-Pro-[(2S,3S)-2-Amino*-3-mercapto(1)butanoyl]-Val-D-Cys(2)-His-αAsp-Cys(1)-His-Met-Asn-D-Cys(3)-Phe-Gln-Phe-Val-Phe-[(2Z)-2-amino*-2-butenoyl]-Cys(2)-Cys(3)-Ser-OH
  • ヌカシンISK-1
  • Nukacin ISK-1
CAS registry number： 850560-92-8
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM