2-[(9Z)-18-(4-aminobutyl)-15,24-bis(2-aminoethyl)-21-(carboxymethyl)-3-(2-chloro-1-hydroxyethyl)-27-(3,4-dihydroxytetradecanoylamino)-9-ethylidene-12-(1-hydroxyethyl)-2,5,8,11,14,17,20,23,26-nonaoxo-1-oxa-4,7,10,13,16,19,22,25-octazacyclooctacos-6-yl]-2-hydroxyacetic acid

Base Information

• Chemical Name: 2-[(9Z)-18-(4-aminobutyl)-15,24-bis(2-aminoethyl)-21-(carboxymethyl)-3-(2-chloro-1-hydroxyethyl)-27-(3,4-dihydroxytetradecanoylamino)-9-ethylidene-12-(1-hydroxyethyl)-2,5,8,11,14,17,20,23,26-nonaoxo-1-oxa-4,7,10,13,16,19,22,25-octazacyclooctacos-6-yl]-2-hydroxyacetic acid
• CAS No.: 139203-13-7
• Molecular Formula: C51H87 Cl N12 O20
• Molecular Weight: 1223.76
• Mol file: 139203-13-7.mol

Synonyms:N-(3,4-dihydroxy-1-oxotetradecyl)-seryl-2,4-diaminobutanoyl-alpha-aspartyl-lysyl-2,4-diaminobutanoyl-allothreonyl-2,3-didehydro-2-aminobutanoyl-threo-3-hydroxy-alpha-aspartyl-4-chloro-threonine, beta1-lactone;pseudomycin A

Chemical Property of 2-[(9Z)-18-(4-aminobutyl)-15,24-bis(2-aminoethyl)-21-(carboxymethyl)-3-(2-chloro-1-hydroxyethyl)-27-(3,4-dihydroxytetradecanoylamino)-9-ethylidene-12-(1-hydroxyethyl)-2,5,8,11,14,17,20,23,26-nonaoxo-1-oxa-4,7,10,13,16,19,22,25-octazacyclooctacos-6-yl]-2-hydroxyacetic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1683.1°Cat760mmHg
• Flash Point: 971.7°C
• Density: 1.4g/cm³
• XLogP3: -6.3
• Hydrogen Bond Donor Count: 19
• Hydrogen Bond Acceptor Count: 23
• Rotatable Bond Count: 28
• Exact Mass: 1222.5848109
• Heavy Atom Count: 84
• Complexity: 2230

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCCCC(C(CC(=O)NC1COC(=O)C(NC(=O)C(NC(=O)C(=CC)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CCN)CC(=O)O)CCCCN)CCN)C(C)O)C(C(=O)O)O)C(CCl)O)O)O
• Isomeric SMILES: CCCCCCCCCCC(C(CC(=O)NC1COC(=O)C(NC(=O)C(NC(=O)/C(=C/C)/NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CCN)CC(=O)O)CCCCN)CCN)C(C)O)C(C(=O)O)O)C(CCl)O)O)O