Chem
J-GLOBAL ID：200907097237082617   Nikkaji number：J37.078I

Nisin

ナイシン
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： C143H230N42O37S7
Molecular formula furigana： C143-H230-N42-O37-S7
Molecular weight： 3354.090
InChI： InChI=1S/C143H230N42O37S7/c1-24-69(11)105(148)135(213)162-82(27-4)118(196)174-94-58-225-59-95(175-123(201)89(48-67(7)8)169-115(193)74(16)158-138(216)107(70(12)25-2)180-132(94)210)133(211)184-112-79(21)229-61-96(160-104(190)56-152-134(212)100-38-34-44-185(100)142(112)220)128(206)164-84(36-29-32-42-145)120(198)182-109-76(18)226-60-97(161-103(189)55-151-117(195)85(39-45-223-22)165-122(200)88(47-66(5)6)168-113(191)72(14)156-102(188)54-153-136(109)214)129(207)171-92(51-101(147)187)125(203)166-86(40-46-224-23)119(197)163-83(35-28-31-41-144)121(199)183-110-77(19)228-63-99-130(208)170-90(49-80-52-149-64-154-80)124(202)176-98(62-227-78(20)111(141(219)177-99)181-116(194)75(17)159-140(110)218)131(209)173-93(57-186)127(205)179-108(71(13)26-3)139(217)172-91(50-81-53-150-65-155-81)126(204)178-106(68(9)10)137(215)157-73(15)114(192)167-87(143(221)222)37-30-33-43-146/h27,52-53,64-72,75-79,83-100,105-112,186H,15-16,24-26,28-51,54-63,144-146,148H2,1-14,17-23H3,(H2,147,187)(H,149,154)(H,150,155)(H,151,195)(H,152,212)(H,153,214)(H,156,188)(H,157,215)(H,158,216)(H,159,218)(H,160,190)(H,161,189)(H,162,213)(H,163,197)(H,164,206)(H,165,200)(H,166,203)(H,167,192)(H,168,191)(H,169,193)(H,170,208)(H,171,207)(H,172,217)(H,173,209)(H,174,196)(H,175,201)(H,176,202)(H,177,219)(H,178,204)(H,179,205)(H,180,210)(H,181,194)(H,182,198)(H,183,199)(H,184,211)(H,221,222)
InChI key： NVNLLIYOARQCIX-UHFFFAOYSA-N
SMILES： CCC(C)C(N)C(=O)NC(=CC)C(=O)NC1CSCC(NC(=O)C(CC(C)C)NC(=O)C(=C)NC(=O)C(NC1=O)C(C)CC)C(=O)NC1C(C)SCC(NC(=O)CNC(=O)C2CCCN2C1=O)C(=O)NC(CCCCN)C(=O)NC1C(C)SCC(NC(=O)CNC(=O)C(CCSC)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)CNC1=O)C(=O)NC(CC(=O)N)C(=O)NC(CCSC)C(=O)NC(CCCCN)C(=O)NC1C(C)SCC2NC(=O)C(NC(=O)C(C)NC1=O)C(C)SCC(NC(=O)C(Cc1c[nH]cn1)NC2=O)C(=O)NC(CO)C(=O)NC(C(C)CC)C(=O)NC(Cc1c[nH]cn1)C(=O)NC(C(C)C)C(=O)NC(=C)C(=O)NC(CCCCN)C(=O)O
Systematic name  (3)：
  • L-Ile-3-メチルDha-D-Cys(1)-L-Ile-ΔAla-L-Leu-L-Ala(1)-3-メチル-D-Ala(2)-L-Pro-Gly-L-Cys(2)-L-Lys-3-メチル-D-Ala(3)-Gly-L-Ala-L-Leu-L-Met-Gly-L-Cys(3)-L-Asn-L-Met-L-Lys-3-メチル-D-Ala(4)-L-Ala-3-メチル-D-Ala(5)-L-Cys(4)-L-His-L-Cys(5)-L-Ser-L-Ile-L-His-L-Val-ΔAla-L-Lys-OH
  • 6-アミノ-2-{2-[2-(2-{2-[2-({7-[6-アミノ-2-(2-{2-[(21-{6-アミノ-2-[(10-{15-[2-(2-アミノ-3-メチルペンタンアミド)ブタ-2-エンアミド]-12-(ブタン-2-イル)-9-メチリデン-6-(2-メチルプロピル)-5,8,11,14-テトラオキソ-1-チア-4,7,10,13-テトラアザシクロヘキサデカン-3-アミド}-9-メチル-1,4,11-トリオキソ-テトラデカヒドロピロロ[2,1-i]1-チア-4,7,10-トリアザシクロトリデカン-6-イル)ホルムアミド]ヘキサンアミド}-15,22-ジメチル-12-(2-メチルプロピル)-9-[2-(メチルスルファニル)エチル]-5,8,11,14,17,20-ヘキサオキソ-1-チア-4,7,10,13,16,19-ヘキサアザシクロドコサン-3-イル)ホルムアミド]-3-カルバモイルプロパンアミド}-4-(メチルスルファニル)ブタンアミド)ヘキサンアミド]-14-[(1H-イミダゾール-4-イル)メチル]-4,8,20-トリメチル-3,6,12,15,21-ペンタオキソ-9,19-ジチア-2,5,13,16,22-ペンタアザビシクロ[9.9.2]ドコサン-17-イル}ホルムアミド)-3-ヒドロキシプロパンアミド]-3-メチルペンタンアミド}-3-(1H-イミダゾール-4-イル)プロパンアミド)-3-メチルブタンアミド]プロパ-2-エンアミド}ヘキサン酸
  • 6-amino-2-{2-[2-(2-{2-[2-({7-[6-amino-2-(2-{2-[(21-{6-amino-2-[(10-{15-[2-(2-amino-3-methylpentanamido)but-2-enamido]-12-(butan-2-yl)-9-methylidene-6-(2-methylpropyl)-5,8,11,14-tetraoxo-1-thia-4,7,10,13-tetraazacyclohexadecane-3-amido}-9-methyl-1,4,11-trioxo-tetradecahydropyrrolo[2,1-i]1-thia-4,7,10-triazacyclotridecan-6-yl)formamido]hexanamido}-15,22-dimethyl-12-(2-methylpropyl)-9-[2-(methylsulfanyl)ethyl]-5,8,11,14,17,20-hexaoxo-1-thia-4,7,10,13,16,19-hexaazacyclodocosan-3-yl)formamido]-3-carbamoylpropanamido}-4-(methylsulfanyl)butanamido)hexanamido]-14-[(1H-imidazol-4-yl)methyl]-4,8,20-trimethyl-3,6,12,15,21-pentaoxo-9,19-dithia-2,5,13,16,22-pentaazabicyclo[9.9.2]docosan-17-yl}formamido)-3-hydroxypropanamido]-3-methylpentanamido}-3-(1H-imidazol-4-yl)propanamido)-3-methylbutanamido]prop-2-enamido}hexanoic acid
Other name (6)：
  • ニシン
  • Nisin
  • L-Ile-3-Methyl Dha-D-Cys(1)-L-Ile-ΔAla-L-Leu-L-Ala(1)-3-methyl-D-Ala(2)-L-Pro-Gly-L-Cys(2)-L-Lys-3-methyl-D-Ala(3)-Gly-L-Ala-L-Leu-L-Met-Gly-L-Cys(3)-L-Asn-L-Met-L-Lys-3-methyl-D-Ala(4)-L-Ala-3-methyl-D-Ala(5)-L-Cys(4)-L-His-L-Cys(5)-L-Ser-L-Ile-L-His-L-Val-ΔAla-L-Lys-OH
  • ナイシン
  • ナイシンA
Show all
CAS registry number： 1414-45-5
Regulation number (1)：
  • EINECS2158075
Application (1)：
peptide antibiotics
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