Chemical Compound

RefChem:190504

CAS Registry Number 137593-46-5
RefChem:190504 chemical structure
Primary Record

RefChem:190504

In stock
899 g
Purity
98.8 %
CAS
137593-46-5

Compound Identifiers & Properties

CAS
137593-46-5
PubChem CID
16131183
SMILES
C[C@H]([C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CCCCN)N)O
Canonical SMILES
CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O

Names & Synonyms

  • RefChem:190504
  • Tsst-1 (58-78)
  • orb1943799
  • Toxic shock syndrome toxin-1 (58-78)
  • 137593-46-5
  • MFCD00678176
  • BAT-014453
  • (4S)-5-[[(2S)-6-Amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S,3R)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-4-carboxy-1-(carboxymethylamino)-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-[[2-[[(2S)-2,6-diaminohexanoyl]amino]acetyl]amino]-5-oxopentanoic acid
  • A1129944
  • Toxic Shock Syndrome Toxin-1 (TSST-1) (58-78)
  • Glycine, L-lysylglycyl-L-alpha-glutamyl-L-lysyl-L-valyl-L-alpha-aspartyl-L-leucyl-L-asparaginyl-L-threonyl-L-lysyl-L-arginyl-L-threonyl-L-lysyl-L-lysyl-L-seryl-L-glutaminyl-L-histidyl-L-threonyl-L-seryl-L-alpha-glutamyl-
  • H-Lys-Gly-Glu-Lys-Val-Asp-Leu-Asn-Thr-Lys-Arg-Thr-Lys-Lys-Ser-Gln-His-Thr-Ser-Glu-Gly-OH
  • 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid,3,3-dimethyl-7-oxo-6-((1-oxo-3-octenyl)amino)-,(2S-(2alpha,5alpha,6beta(E)))