Chemical Compound

2-[[2-[[2-[[2-[[6-[[6-amino-2-[[5-amino-2-[(2-amino-3-methylbutanoyl)amino]-5-oxopentanoyl]amino]hexanoyl]amino]-12-(3-amino-3-oxopropyl)-27,31-bis(2-carboxylatoethyl)-3,9,18,20,26,32,38-heptamethyl-7,10,13-trioxo-4,17-dithia-8,11,14,22,39-pentaza-36,40-diazanidahexacyclo[19.15.1.12,35.125,28.130,33.019,23]tetraconta-1,19,21(37),22,24,26,28,30(39),31,33,35(38)-undecaene-15-carbonyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]pentanedioate;hydron;iron(2+)

CAS Registry Number 30975-71-4
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2-[[2-[[2-[[2-[[6-[[6-amino-2-[[5-amino-2-[(2-amino-3-methylbutanoyl)amino]-5-oxopentanoyl]amino]hexanoyl]amino]-12-(3-amino-3-oxopropyl)-27,31-bis(2-carboxylatoethyl)-3,9,18,20,26,32,38-heptamethyl-7,10,13-trioxo-4,17-dithia-8,11,14,22,39-pentaza-36,40-diazanidahexacyclo[19.15.1.12,35.125,28.130,33.019,23]tetraconta-1,19,21(37),22,24,26,28,30(39),31,33,35(38)-undecaene-15-carbonyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]pentanedioate;hydron;iron(2+) 结构式
Primary record

2-[[2-[[2-[[2-[[6-[[6-amino-2-[[5-amino-2-[(2-amino-3-methylbutanoyl)amino]-5-oxopentanoyl]amino]hexanoyl]amino]-12-(3-amino-3-oxopropyl)-27,31-bis(2-carboxylatoethyl)-3,9,18,20,26,32,38-heptamethyl-7,10,13-trioxo-4,17-dithia-8,11,14,22,39-pentaza-36,40-diazanidahexacyclo[19.15.1.12,35.125,28.130,33.019,23]tetraconta-1,19,21(37),22,24,26,28,30(39),31,33,35(38)-undecaene-15-carbonyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]pentanedioate;hydron;iron(2+)

库存
6,019 克
纯度
99.6 %
CAS
30975-71-4

化合物标识与属性

CAS
30975-71-4
PubChem CID
16132129
SMILES
[H+].[H+].[H+].[H+].CC1C(=O)NC(C(=O)NC(CSC(C2=C(C3=CC4=C(C(SCC(C(=O)N1)NC(=O)C(CCCCN)NC(=O)C(CCC(=O)N)NC(=O)C(C(C)C)N)C)C(=C([N-]4)C=C5C(=C(C(=N5)C=C6C(=C(C(=CC2=N3)[N-]6)C)CCC(=O)[O-])CCC(=O)[O-])C)C)C)C)C(=O)NC(CC7=CNC=N7)C(=O)NC(C(C)O)C(=O)NC(C(C)C)C(=O)NC(CCC(=O)[O-])C(=O)[O-])CCC(=O)N.[Fe+2]
Canonical SMILES
CC1=C(CCC(=O)[O-])c2cc3[n-]c(cc4nc5cc6[n-]c(cc1n2)c(C)c6C(C)SCC(NC(=O)C(CCCCN)NC(=O)C(CCC(N)=O)NC(=O)C(N)C(C)C)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)NC(C(=O)NC(Cc1c[nH]cn1)C(=O)NC(C(=O)NC(C(=O)NC(CCC(=O)[O-])C(=O)[O-])C(C)C)C(C)O)CSC(C)C4=C5C)c(C)c3CCC(=O)[O-].[Fe+2].[H+].[H+].[H+].[H+]

名称与同义词

  • Ferriheme undecapeptide
  • Mupx-11
  • Ferri-heme undecapeptide
  • Heme undecapeptides, anionized
  • Heme undecapeptides, cationized
  • Heme undecapeptide, cytochrome C
  • C84H112FeN20O21S2.4H
  • C84-H112-Fe-N20-O21-S2.4H
  • 30975-71-4
  • 2-[[2-[[2-[[2-[[6-[[6-amino-2-[[5-amino-2-[(2-amino-3-methylbutanoyl)amino]-5-oxopentanoyl]amino]hexanoyl]amino]-12-(3-amino-3-oxopropyl)-27,31-bis(2-carboxylatoethyl)-3,9,18,20,26,32,38-heptamethyl-7,10,13-trioxo-4,17-dithia-8,11,14,22,39-pentaza-36,40-diazanidahexacyclo[19.15.1.12,35.125,28.130,33.019,23]tetraconta-1,19,21(37),22,24,26,28,30(39),31,33,35(38)-undecaene-15-carbonyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]pentanedioate;hydron;iron(2+)
  • Ferrate(4-), (L-valyl-L-glutaminyl-L-lysyl-L-cysteinyl-L-alanyl-L-glutaminyl-L-cysteinyl-L-histidyl-L-threonyl-L-valyl-L-glutamic acid cyclic (4-12'),(7-7')-bis(sulfide) with 7,12-bis(1-mercaptoethyl)-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(6-)-N21,N22,N23,N24)-, tetrahydrogen