L-Lysine, L-alanyl-L-valyl-L-prolyl-L-isoleucyl-L-alanyl-L-glutaminyl-

Base Information

• Chemical Name: L-Lysine, L-alanyl-L-valyl-L-prolyl-L-isoleucyl-L-alanyl-L-glutaminyl-
• CAS No.: 401913-57-3
• Molecular Formula: C33H59N9O9
• Molecular Weight: 725.87600
• DSSTox Substance ID: DTXSID90437866
• Nikkaji Number: J1.408.181J
• Wikidata: Q82253459
• Mol file: 401913-57-3.mol

Synonyms:L-Lysine, L-alanyl-L-valyl-L-prolyl-L-isoleucyl-L-alanyl-L-glutaminyl-;401913-57-3;(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]-5-oxopentanoyl]amino]hexanoic acid;Smac-7;DTXSID90437866

Chemical Property of L-Lysine, L-alanyl-L-valyl-L-prolyl-L-isoleucyl-L-alanyl-L-glutaminyl-

Chemical Property:

• PSA: 316.68000
• LogP: 4.63940
• XLogP3: -5
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 22
• Exact Mass: 725.44357449
• Heavy Atom Count: 51
• Complexity: 1250

Purity/Quality:

99% ^*data from raw suppliers

Smac-N7 Peptide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)C(C(=O)NC(C)C(=O)NC(CCC(=O)N)C(=O)NC(CCCCN)C(=O)O)NC(=O)C1CCCN1C(=O)C(C(C)C)NC(=O)C(C)N
• Isomeric SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)[C@H](C)N