Chemical Compound

[(2R,6S,9R,11R,18S,21S,23aS,29S)-29-[(2S)-Butan-2-yl]-21-[(2R,3R)-3,4-dihydroxybutan-2-yl]-2,14-dihydroxy-5,8,11,20,23,24,27,30,33-nonaoxo-2,3,5,6,7,8,9,10,11,12,17,18,19,20,21,22,23,23a-octadecahydro-1H-9,18-(epiminoethanoiminoethanoiminoethanoiminomethano)-11lambda~4~-pyrrolo[1',2':8,9][1,5,8,11,14]thiatetraazacyclooctadecino[18,17-b]indol-6-yl]acetic acid

CAS Registry Number 21150-22-1
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[(2R,6S,9R,11R,18S,21S,23aS,29S)-29-[(2S)-Butan-2-yl]-21-[(2R,3R)-3,4-dihydroxybutan-2-yl]-2,14-dihydroxy-5,8,11,20,23,24,27,30,33-nonaoxo-2,3,5,6,7,8,9,10,11,12,17,18,19,20,21,22,23,23a-octadecahydro-1H-9,18-(epiminoethanoiminoethanoiminoethanoiminomethano)-11lambda~4~-pyrrolo[1',2':8,9][1,5,8,11,14]thiatetraazacyclooctadecino[18,17-b]indol-6-yl]acetic acid 结构式
Primary record

[(2R,6S,9R,11R,18S,21S,23aS,29S)-29-[(2S)-Butan-2-yl]-21-[(2R,3R)-3,4-dihydroxybutan-2-yl]-2,14-dihydroxy-5,8,11,20,23,24,27,30,33-nonaoxo-2,3,5,6,7,8,9,10,11,12,17,18,19,20,21,22,23,23a-octadecahydro-1H-9,18-(epiminoethanoiminoethanoiminoethanoiminomethano)-11lambda~4~-pyrrolo[1',2':8,9][1,5,8,11,14]thiatetraazacyclooctadecino[18,17-b]indol-6-yl]acetic acid

库存
4,114 克
纯度
99.0 %
CAS
21150-22-1

化合物标识与属性

CAS
21150-22-1
PubChem CID
76959217
SMILES
CC[C@H](C)[C@H]1C(=O)NCC(=O)N[C@H]2C[S@@](=O)C3=C(C[C@@H](C(=O)NCC(=O)N1)NC(=O)[C@@H](NC(=O)[C@@H]4C[C@H](CN4C(=O)[C@@H](NC2=O)CC(=O)O)O)[C@@H](C)[C@H](CO)O)C5=C(N3)C=C(C=C5)O
Canonical SMILES
CC[C@H](C)[C@@H]1NC(=O)CNC(=O)[C@@H]2Cc3c([nH]c4cc(O)ccc34)[S@](=O)C[C@H](NC(=O)CNC1=O)C(=O)N[C@@H](CC(=O)O)C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H]([C@@H](C)[C@@H](O)CO)C(=O)N2

名称与同义词

  • BETA-AMANITIN
  • beta-Amanitine
  • beta-Amatoxin
  • .beta.-Amanitine
  • -Amanitin
  • .beta.-Amanitin
  • |A-Amanitin
  • 1-Asp-alpha-amanitin
  • Alpha-amanitin, Asp(1)-
  • RefChem:119195
  • G729YPP47L
  • AMANITIN, .BETA.-
  • UNII-G729YPP47L
  • 1-L-Aspartic acid alpha-amanitin
  • DTXSID50897720
  • .BETA.-AMANITIN [MI]
  • Alpha-amanitin, 1-aspartic acid-
  • .BETA.-AMATOXIN [HSDB]
  • Alpha-amanitin, aspartic acid(1)-
  • alpha-Amanitin, 1-l-aspartic acid-
  • HSDB 3459
  • C39H53N9O14S
  • DTXCID601326940
  • EINECS 244-244-8
  • 21150-22-1
  • MFCD00151212
  • ZINC299817161
  • BRN 1071139
  • 1-L-ASPARTIC ACID .ALPHA.-AMANITIN
  • .ALPHA.-AMANITIN, 1-L-ASPARTIC ACID-
  • A1201642
  • 13567-07-2
  • [(2R,6S,9R,11R,18S,21S,23aS,29S)-29-[(2S)-Butan-2-yl]-21-[(2R,3R)-3,4-dihydroxybutan-2-yl]-2,14-dihydroxy-5,8,11,20,23,24,27,30,33-nonaoxo-2,3,5,6,7,8,9,10,11,12,17,18,19,20,21,22,23,23a-octadecahydro-1H-9,18-(epiminoethanoiminoethanoiminoethanoiminomethano)-11lambda~4~-pyrrolo[1',2':8,9][1,5,8,11,14]thiatetraazacyclooctadecino[18,17-b]indol-6-yl]acetic acid
  • 2-[34-butan-2-yl-13-(3,4-dihydroxybutan-2-yl)-8,22-dihydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-27|E4-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-4-yl]acetic acid
  • 2-[34-butan-2-yl-13-(3,4-dihydroxybutan-2-yl)-8,22-dihydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-27lambda4-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-4-yl]acetic acid
  • 244-244-8
  • 9,18-(Iminoethaniminoethaniminoethaniminomethano)pyrrolo(1',2':8,9)(1,5,8,11,14)thiatetraazacyclooctadecino(18,17-b)indole-6-acetic acid, 1,2,3,5,6,7,8,9,10,12,17,18,19,20,21,22,23,23a-octadecahydro-29-sec-butyl-2,14-dihydroxy-21-(2,3-dihydroxy-1-methylpropyl)-5,8,20,23,24,27,30,33-octaoxo-, 11-oxide
  • CYCLO(L-.ALPHA.-ASPARTYL-(4R)-4-HYDROXY-L-PROLYL-(4R)-4,5-DIHYDROXY-L-ISOLEUCYL-6-HYDROXY-2-MERCAPTO-L-TRYPTOPHYLGLYCYL-L-ISOLEUCYLGLYCYL-L-CYSTEINYL) CYCLIC (4->8)-THIOETHER (R)-S-OXIDE