Chemical Compound

SN50 trifluoroacetate salt

CAS Registry Number 213546-53-3
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SN50 trifluoroacetate salt chemical structure
Primary Record

SN50 trifluoroacetate salt

In stock
4,991 g
Purity
98.5 %
CAS
213546-53-3

Compound Identifiers & Properties

CAS
213546-53-3
PubChem CID
126456265
SMILES
C[C@@H](C(=N[C@@H](C)C(=N[C@@H](C(C)C)C(=N[C@@H](C)C(=N[C@@H](CC(C)C)C(=N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=N[C@@H](C)C(=N[C@@H](C(C)C)C(=N[C@@H](CC(C)C)C(=N[C@@H](CC(C)C)C(=N[C@@H](C)C(=N[C@@H](CC(C)C)C(=N[C@@H](CC(C)C)C(=N[C@@H](C)C(=O)N2CCC[C@H]2C(=N[C@@H](C(C)C)C(=N[C@@H](CCC(=N)O)C(=N[C@@H](CCCNC(=N)N)C(=N[C@@H](CCCCN)C(=N[C@@H](CCCNC(=N)N)C(=N[C@@H](CCC(=N)O)C(=N[C@@H](CCCCN)C(=N[C@@H](CC(C)C)C(=N[C@@H](CCSC)C(=O)N3CCC[C@H]3C(=O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)N
Canonical SMILES
CSCC[C@H](N=C(O)[C@H](CC(C)C)N=C(O)[C@H](CCCCN)N=C(O)[C@H](CCC(=N)O)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CCCCN)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CCC(=N)O)N=C(O)[C@@H](N=C(O)[C@@H]1CCCN1C(=O)[C@H](C)N=C(O)[C@H](CC(C)C)N=C(O)[C@H](CC(C)C)N=C(O)[C@H](C)N=C(O)[C@H](CC(C)C)N=C(O)[C@H](CC(C)C)N=C(O)[C@@H](N=C(O)[C@H](C)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)N=C(O)[C@H](CC(C)C)N=C(O)[C@H](C)N=C(O)[C@@H](N=C(O)[C@H](C)N=C(O)[C@H](C)N)C(C)C)C(C)C)C(C)C)C(=O)N1CCC[C@H]1C(=O)O

Names & Synonyms

  • SN50 trifluoroacetate salt
  • C129H230N36O29S
  • MFCD01076531
  • 213546-53-3
  • (2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]-3-methyl-butanoyl]amino]propanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]propanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-methyl-butanoyl]amino]-5-oxo-pentanoyl]amino]-5-guanidino-pentanoyl]amino]hexanoyl]amino]-5-guanidino-pentanoyl]amino]-5-oxo-pentanoyl]amino]hexanoyl]amino]-4-methyl-pentanoyl]amino]-4-methylsulfanyl-butanoyl]pyrrolidine-2-carboxylic acid