Cas no 32530-94-2 (Polymyxin E1,1-de[N2-(6-methyl-1-oxooctyl)-L-2,4-diaminobutanoic acid]- (9CI))

Polymyxin E1,1-de[N2-(6-methyl-1-oxooctyl)-L-2,4-diaminobutanoic acid]- (9CI) structure
32530-94-2 structure
Product Name:Polymyxin E1,1-de[N2-(6-methyl-1-oxooctyl)-L-2,4-diaminobutanoic acid]- (9CI)
CAS No:32530-94-2
MF:C40H76N14O11
MW:929.118648529053
CID:308564
PubChem ID:169441
Update Time:2025-04-19

Polymyxin E1,1-de[N2-(6-methyl-1-oxooctyl)-L-2,4-diaminobutanoic acid]- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Polymyxin E1,1-de[N2-(6-methyl-1-oxooctyl)-L-2,4-diaminobutanoic acid]- (9CI)
    • 2-amino-N-[4-amino-1-oxo-1-[[6,9,18-tris(2-aminoethyl)-3-(1-hydroxyethyl)-12,15-bis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]-3-hydroxybut
    • 32530-94-2
    • DTXSID10954262
    • 2-Amino-N-(4-amino-1-hydroxy-1-{[6,9,18-tris(2-aminoethyl)-2,5,8,11,14,17,20-heptahydroxy-3-(1-hydroxyethyl)-12,15-bis(2-methylpropyl)-1,4,7,10,13,16,19-heptaazacyclotricosa-1,4,7,10,13,16,19-heptaen-21-yl]imino}butan-2-yl)-3-hydroxybutanimidic acid
    • Colistin nonapeptide
    • 2-amino-N-[4-amino-1-oxo-1-[[6,9,18-tris(2-aminoethyl)-3-(1-hydroxyethyl)-12,15-bis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]-3-hydroxybutanamide
    • Inchi： 1S/C40H76N14O11/c1-19(2)17-28-37(62)49-23(7-12-41)32(57)48-26(10-15-44)36(61)54-31(22(6)56)40(65)46-16-11-27(50-33(58)25(9-14-43)51-39(64)30(45)21(5)55)35(60)47-24(8-13-42)34(59)52-29(18-20(3)4)38(63)53-28/h19-31,55-56H,7-18,41-45H2,1-6H3,(H,46,65)(H,47,60)(H,48,57)(H,49,62)(H,50,58)(H,51,64)(H,52,59)(H,53,63)(H,54,61)
    • InChI Key： WNPBEUWOUYCJJR-UHFFFAOYSA-N
    • SMILES： O=C1C(CC(C)C)NC(C(CCN)NC(C(CCNC(C(C(C)O)NC(C(CCN)NC(C(CCN)NC(C(CC(C)C)N1)=O)=O)=O)=O)NC(C(CCN)NC(C(C(C)O)N)=O)=O)=O)=O

Computed Properties

  • Exact Mass: 928.58238
  • Monoisotopic Mass: 928.58179930g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 16
  • Hydrogen Bond Acceptor Count: 16
  • Heavy Atom Count: 65
  • Rotatable Bond Count: 18
  • Complexity: 1610
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 11
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -5.1
  • Topological Polar Surface Area: 433?2

Experimental Properties

  • PSA: 432.46

Polymyxin E1,1-de[N2-(6-methyl-1-oxooctyl)-L-2,4-diaminobutanoic acid]- (9CI) Related Literature

32530-94-2 (Polymyxin E1,1-de[N2-(6-methyl-1-oxooctyl)-L-2,4-diaminobutanoic acid]- (9CI)) Related Products

Recommended suppliers
上海嶸奧生物技術有限公司
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
上海嶸奧生物技術有限公司
Shenzhen Jianxing Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Shenzhen Jianxing Pharmaceutical Technology Co., Ltd.
Hangzhou Cedareal Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Hangzhou Cedareal Technology Co., Ltd.
Shanghai Pearlk Chemicals Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
上海帛亦醫(yī)藥科技有限公司
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent