Basic information
- CAS
142563-40-4- Standard SMILES
CC(C)CC1NC(=O)C(Cc2ccccc2)NC(=O)C(CCN)NC(=O)C(N)CCNC(=O)C(C(C)O)NC(=O)C(CCN)NC(=O)C(CCN)NC1=O.O=S(=O)(O)O- InChIKey
OEJLXAYYUXMOTN-UHFFFAOYSA-N- Molecular formula
- C35H61N11O12S
- Average molar mass
- 860 g/mol
- Monoisotopic mass
- 859.4221876
Names & identifiers
- Preferred name
- Cyclo(dab-dab-phe-leu-dab-dab-thr) sulfate salt
- IUPAC
- 21-amino-6,9,18-tris(2-aminoethyl)-15-benzyl-3-(1-hydroxyethyl)-12-(2-methylpropyl)-1,4,7,10,13,16,19-heptazacyclotricosane-2,5,8,11,14,17,20-heptone;sulfuric acid
- English name
- Polymyxin B heptapeptide
- Molecular formula
- C35H61N11O12S
- Molecular weight
- 859.99034
Names & synonyms
Cyclo(dab-dab-phe-leu-dab-dab-thr) sulfate salt21-amino-6,9,18-tris(2-aminoethyl)-15-benzyl-3-(1-hydroxyethyl)-12-(2-methylpropyl)-1,4,7,10,13,16,19-heptazacyclotricosane-2,5,8,11,14,17,20-heptone;sulfuric acidSCHEMBL29742409DTXSID40931526Sulfuric acid--21-amino-6,9,18-tris(2-aminoethyl)-15-benzyl-3-(1-hydroxyethyl)-12-(2-methylpropyl)-1,4,7,10,13,16,19-heptaazacyclotricosa-1,4,7,10,13,16,19-heptaene-2,5,8,11,14,17,20-heptol (1/1)Polymyxin B heptapeptidecyclo(diaminobutyryl-diaminobutyryl-phenylalanyl-leucyl-diaminobutyryl-diaminobutyryl-threonyl)
Database identifiers
- CAS
142563-40-4- PubChem CID
- 3083360
- DTXSID
DTXSID40931526
Properties
Computed structural properties
- Topological polar surface area
- 411 Ų
- Hydrogen bond donors
- 14
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 11
- Heavy atoms
- 59
- Formal charge
- 0
- Complexity
- 1,350
Chemistry & industry
Suppliers4 total
LEON (NANJING) BIOTECHNOLOGY CO., LTD.15051830413 · [email protected]
南京莱昂生物科技有限公司025-84523390 -127; 17705183659 · [email protected]
南京肽业生物科技有限公司025-58361106-805 15951641583 · [email protected]
南京美韬医药科技有限公司[email protected] · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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