6-amino-2-[2-[[2-[[6-amino-2-[[7-[[5-amino-2-[[2-[[2-[[21-[[2-[[3-[[15-[[6-amino-2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-12-(2-carboxyethyl)-9-methylidene-6-(2-methylpropyl)-5,8,11,14-tetraoxo-1-thia-4,7,10,13-tetrazacyclohexadecane-3-carbonyl]amino]-4-methyl-2,9,12-trioxo-5-thia-1,8,11-triazabicyclo[11.3.0]hexadecane-7-carbonyl]amino]-3-methylbutanoyl]amino]-9-(3-amino-3-oxopropyl)-6-ethylidene-15,22-dimethyl-12-(2-methylpropyl)-5,8,11,14,17,20-hexaoxo-1-thia-4,7,10,13,16,19-hexazacyclodocosane-3-carbonyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]-14-(2-amino-2-oxoethyl)-8,20-dimethyl-4-(2-methylpropyl)-3,6,12,15,21-pentaoxo-9,19-dithia-2,5,13,16,22-pentazabicyclo[9.9.2]docosane-17-carbonyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]prop-2-enoylamino]hexanoic acid

Base Information

• Chemical Name: 6-amino-2-[2-[[2-[[6-amino-2-[[7-[[5-amino-2-[[2-[[2-[[21-[[2-[[3-[[15-[[6-amino-2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-12-(2-carboxyethyl)-9-methylidene-6-(2-methylpropyl)-5,8,11,14-tetraoxo-1-thia-4,7,10,13-tetrazacyclohexadecane-3-carbonyl]amino]-4-methyl-2,9,12-trioxo-5-thia-1,8,11-triazabicyclo[11.3.0]hexadecane-7-carbonyl]amino]-3-methylbutanoyl]amino]-9-(3-amino-3-oxopropyl)-6-ethylidene-15,22-dimethyl-12-(2-methylpropyl)-5,8,11,14,17,20-hexaoxo-1-thia-4,7,10,13,16,19-hexazacyclodocosane-3-carbonyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]-14-(2-amino-2-oxoethyl)-8,20-dimethyl-4-(2-methylpropyl)-3,6,12,15,21-pentaoxo-9,19-dithia-2,5,13,16,22-pentazabicyclo[9.9.2]docosane-17-carbonyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]prop-2-enoylamino]hexanoic acid
• CAS No.: 1393-38-0
• Molecular Formula: C148H227 N39 O38 S5
• Molecular Weight: 3321.44
• Mol file: 1393-38-0.mol

Synonyms:

Chemical Property of 6-amino-2-[2-[[2-[[6-amino-2-[[7-[[5-amino-2-[[2-[[2-[[21-[[2-[[3-[[15-[[6-amino-2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-12-(2-carboxyethyl)-9-methylidene-6-(2-methylpropyl)-5,8,11,14-tetraoxo-1-thia-4,7,10,13-tetrazacyclohexadecane-3-carbonyl]amino]-4-methyl-2,9,12-trioxo-5-thia-1,8,11-triazabicyclo[11.3.0]hexadecane-7-carbonyl]amino]-3-methylbutanoyl]amino]-9-(3-amino-3-oxopropyl)-6-ethylidene-15,22-dimethyl-12-(2-methylpropyl)-5,8,11,14,17,20-hexaoxo-1-thia-4,7,10,13,16,19-hexazacyclodocosane-3-carbonyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]-14-(2-amino-2-oxoethyl)-8,20-dimethyl-4-(2-methylpropyl)-3,6,12,15,21-pentaoxo-9,19-dithia-2,5,13,16,22-pentazabicyclo[9.9.2]docosane-17-carbonyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]prop-2-enoylamino]hexanoic acid

Chemical Property:

• PSA: 1343.55000
• LogP: 6.35210
• XLogP3: -6.7
• Hydrogen Bond Donor Count: 40
• Hydrogen Bond Acceptor Count: 47
• Rotatable Bond Count: 65
• Exact Mass: 3319.5666346
• Heavy Atom Count: 230
• Complexity: 7980

Purity/Quality:

99%, ^*data from raw 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(CCCCN)C(=O)O)NC(=O)C(CCCCN)NC(=O)C1CSC(C2C(=O)NC(CSC(C(C(=O)NC(C(=O)N2)CC(C)C)NC(=O)C(CCC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CC3=CC=CC=C3)NC(=O)C4CSC(C(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(=CC)C(=O)N4)CCC(=O)N)CC(C)C)C)NC(=O)C(C(C)C)NC(=O)C5CSC(C(C(=O)N6CCCC6C(=O)NCC(=O)N5)NC(=O)C7CSCC(C(=O)NC(C(=O)NC(=C)C(=O)NC(C(=O)N7)CC(C)C)CCC(=O)O)NC(=O)C(CCCCN)NC(=O)C(CC8=CNC9=CC=CC=C98)N)C)C)C)C(=O)NC(C(=O)N1)CC(=O)N)C
• Uses: Food preservative.