Cas no 107140-29-4 (D-Alanine,N-(4-methyl-1-oxopentyl)-,(5R,6E,8E,10E,13S,14R,15R,16Z)-15,22-dihydroxy-5-methoxy-14,16-dimethyl-3-oxo-2-azabicyclo[18.3.1]tetracosa-1(24),6,8,10,16,20,22-heptaen-13-ylester)

D-Alanine,N-(4-methyl-1-oxopentyl)-,(5R,6E,8E,10E,13S,14R,15R,16Z)-15,22-dihydroxy-5-methoxy-14,16-dimethyl-3-oxo-2-azabicyclo[18.3.1]tetracosa-1(24),6,8,10,16,20,22-heptaen-13-ylester structure
107140-29-4 structure
Product Name:D-Alanine,N-(4-methyl-1-oxopentyl)-,(5R,6E,8E,10E,13S,14R,15R,16Z)-15,22-dihydroxy-5-methoxy-14,16-dimethyl-3-oxo-2-azabicyclo[18.3.1]tetracosa-1(24),6,8,10,16,20,22-heptaen-13-ylester
CAS No:107140-29-4
MF:C35H50N2O7
MW:610.780710697174
CID:140731
PubChem ID:6449818
Update Time:2025-04-19

D-Alanine,N-(4-methyl-1-oxopentyl)-,(5R,6E,8E,10E,13S,14R,15R,16Z)-15,22-dihydroxy-5-methoxy-14,16-dimethyl-3-oxo-2-azabicyclo[18.3.1]tetracosa-1(24),6,8,10,16,20,22-heptaen-13-ylester Chemical and Physical Properties

Names and Identifiers

    • D-Alanine,N-(4-methyl-1-oxopentyl)-,(5R,6E,8E,10E,13S,14R,15R,16Z)-15,22-dihydroxy-5-methoxy-14,16-dimethyl-3-oxo-2-azabicyclo[18.3.1]tetracosa-1(24),6,8,10,16,20,22-heptaen-13-ylester
    • [(4Z,6R,7S,8S,10Z,12Z,14Z,16R)-6,22-dihydroxy-16-methoxy-5,7-dimethyl-18-oxo-19-azabicyclo[18.3.1]tetracosa-1(24),4,10,12,14,20,22-heptaen-8-yl] (2R)-2-(4-methylpentanoylamino)propanoate
    • D-Alanine,N-(4-methyl-1-oxopentyl)-,(5R,6E,8E,10E,13S,14R,15R,16Z)-15,22-dihydroxy-5-methoxy-1...
    • D-Alanine,N-(4-methyl-1-oxopentyl)-,(5R,6E,8E,10E,13S,14R,15R,16Z)-15,22-dihydroxy-5-methoxy-14,16-dimethyl-3-oxo-2-azabicycl
    • trienomycin E
    • (5R,13S,14S,15R)-15,22-dihydroxy-5-methoxy-14,16-dimethyl-3-oxo-2-azabicyclo[18.3.1]tetracosa-1(24),6,8,10,16,20,22-heptaen-13-yl N-(4-methylpentanoyl)-D-alaninate
    • D-Alanine, N-(4-methyl-1-oxopentyl)-, 11-ester with 20,23-didehydro-20,23-dideoxo-20-hydroxyansatrienol A
    • 107140-29-4
    • [(5R,6Z,8Z,10Z,13S,14S,15R,16Z)-15,22-dihydroxy-5-methoxy-14,16-dimethyl-3-oxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20(24),21-heptaen-13-yl] (2R)-2-(4-methylpentanoylamino)propanoate
    • Inchi： 1S/C35H50N2O7/c1-23(2)17-18-32(39)36-26(5)35(42)44-31-16-11-9-7-8-10-15-30(43-6)22-33(40)37-28-19-27(20-29(38)21-28)14-12-13-24(3)34(41)25(31)4/h7-11,13,15,19-21,23,25-26,30-31,34,38,41H,12,14,16-18,22H2,1-6H3,(H,36,39)(H,37,40)/b8-7-,11-9-,15-10-,24-13-/t25-,26-,30+,31+,34+/m1/s1
    • InChI Key： JJBUXIPSVLPJSA-HWRDDRQASA-N
    • SMILES： O(C([C@@H](C)NC(CCC(C)C)=O)=O)[C@H]1CC=CC=CC=C[C@@H](CC(NC2C=C(C=C(C=2)CCC=C(C)[C@@H]([C@@H]1C)O)O)=O)OC |c:15,17,19,t:34|

Computed Properties

  • Exact Mass: 610.362
  • Monoisotopic Mass: 610.361802
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 44
  • Rotatable Bond Count: 8
  • Complexity: 1030
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 5
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 4
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 134
  • XLogP3: 5.4

Experimental Properties

  • Density: 1.15
  • Boiling Point: 794.3°Cat760mmHg
  • Flash Point: 434.2°C
  • Refractive Index: 1.563
  • PSA: 134.19
  • LogP: 6.46210

D-Alanine,N-(4-methyl-1-oxopentyl)-,(5R,6E,8E,10E,13S,14R,15R,16Z)-15,22-dihydroxy-5-methoxy-14,16-dimethyl-3-oxo-2-azabicyclo[18.3.1]tetracosa-1(24),6,8,10,16,20,22-heptaen-13-ylester Related Literature

107140-29-4 (D-Alanine,N-(4-methyl-1-oxopentyl)-,(5R,6E,8E,10E,13S,14R,15R,16Z)-15,22-dihydroxy-5-methoxy-14,16-dimethyl-3-oxo-2-azabicyclo[18.3.1]tetracosa-1(24),6,8,10,16,20,22-heptaen-13-ylester) Related Products

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