[Arg8]-Vasotocin acetate salt

Base Information

• Chemical Name: [Arg8]-Vasotocin acetate salt
• CAS No.: 74927-14-3
• Molecular Formula: C43H67N15O12S2
• Molecular Weight: 1050.22
• DSSTox Substance ID: DTXSID20585288
• Mol file: 74927-14-3.mol

Synonyms:[Arg8]-Vasotocin acetate salt;74927-14-3;(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2R)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide;[Arg8] Vasotocin;DTXSID20585288;PUBCHEM_16220086;MFCD00076755;[Arg8]-Vasotocin acetate salt, >=97% (HPLC)

Chemical Property of [Arg8]-Vasotocin acetate salt

Chemical Property:

• PSA: 512.03000
• LogP: 0.96440
• Storage Temp.: −20°C
• Solubility.: H2O: soluble20mg/mL, clear, colorless
• XLogP3: -5.1
• Hydrogen Bond Donor Count: 14
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 19
• Exact Mass: 1049.45350498
• Heavy Atom Count: 72
• Complexity: 1990

Purity/Quality:

≥97%(HPLC) ^*data from raw suppliers

[Arg8]-Vasotocin acetate salt ≥97% (HPLC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)N1)CC2=CC=C(C=C2)O)N)C(=O)N3CCCC3C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N
• Isomeric SMILES: CC[C@@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)O)N)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N