3-(1-Carboxyethyl)cyclo[D-Lac-L-Pro-L-Ile-N-methyl-L-Val-N-methyl-L-Ala-betaAla-]

Base Information

• Chemical Name: 3-(1-Carboxyethyl)cyclo[D-Lac-L-Pro-L-Ile-N-methyl-L-Val-N-methyl-L-Ala-betaAla-]
• CAS No.: 27482-50-4
• Molecular Formula: C30H49 N5 O9
• Molecular Weight: 623.7382
• DSSTox Substance ID: DTXSID00950177
• Wikidata: Q105312826
• Mol file: 27482-50-4.mol

Synonyms:3-(1-Carboxyethyl)cyclo[D-Lac-L-Pro-L-Ile-N-methyl-L-Val-N-methyl-L-Ala-betaAla-];Compound NP-013746;DTXSID00950177;AKOS040738932;NCGC00380598-01;3-[3-(Butan-2-yl)-1,10-dihydroxy-5,8,9-trimethyl-4,7,14,17-tetraoxo-6-(propan-2-yl)-3,4,5,6,7,8,9,12,13,14,16,17,19,20,21,21a-hexadecahydropyrrolo[1,2-d][1,4,7,10,13,16]oxapentaazacyclononadecin-16-yl]-2-methylpropanoic acid;NCGC00380598-01_C30H49N5O9_3-(3-sec-Butyl-6-isopropyl-5,8,9-trimethyl-1,4,7,10,14,17-hexaoxoicosahydropyrrolo[1,2-d][1,4,7,10,13,16]oxapentaazacyclononadecin-16-yl)-2-methylpropanoic acid

Chemical Property of 3-(1-Carboxyethyl)cyclo[D-Lac-L-Pro-L-Ile-N-methyl-L-Val-N-methyl-L-Ala-betaAla-]

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 953°Cat760mmHg
• Flash Point: 530.1°C
• PSA: 189.71000
• Density: 1.24g/cm³
• LogP: 0.74620
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 6
• Exact Mass: 623.35302816
• Heavy Atom Count: 44
• Complexity: 1110

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)C1C(=O)N(C(C(=O)N(C(C(=O)NCCC(=O)OC(C(=O)N2CCCC2C(=O)N1)CC(C)C(=O)O)C)C)C(C)C)C