Cas no 70393-50-9 (4-Oxazolecarboxamide,N-[4-[(2,3-dihydroxybenzoyl)amino]butyl]-N-[3-[(2,3-dihydroxybenzoyl)amino]propyl]-2-(2,3-dihydroxyphenyl)-4,5-dihydro-5-methyl-,(4S,5R)-)

4-Oxazolecarboxamide,N-[4-[(2,3-dihydroxybenzoyl)amino]butyl]-N-[3-[(2,3-dihydroxybenzoyl)amino]propyl]-2-(2,3-dihydroxyphenyl)-4,5-dihydro-5-methyl-,(4S,5R)- structure
70393-50-9 structure
Product Name:4-Oxazolecarboxamide,N-[4-[(2,3-dihydroxybenzoyl)amino]butyl]-N-[3-[(2,3-dihydroxybenzoyl)amino]propyl]-2-(2,3-dihydroxyphenyl)-4,5-dihydro-5-methyl-,(4S,5R)-
CAS No:70393-50-9
MF:C32H36N4O10
MW:636.649048805237
CID:566212
PubChem ID:172540
Update Time:2025-04-19

4-Oxazolecarboxamide,N-[4-[(2,3-dihydroxybenzoyl)amino]butyl]-N-[3-[(2,3-dihydroxybenzoyl)amino]propyl]-2-(2,3-dihydroxyphenyl)-4,5-dihydro-5-methyl-,(4S,5R)- Chemical and Physical Properties

Names and Identifiers

    • 4-Oxazolecarboxamide,N-[4-[(2,3-dihydroxybenzoyl)amino]butyl]-N-[3-[(2,3-dihydroxybenzoyl)amino]propyl]-2-(2,3-dihydroxyphenyl)-4,5-dihydro-5-methyl-,(4S,5R)-
    • 4-Oxazolecarboxamide,N-[4-[(2,3-dihydroxybenzoyl)amino]butyl]-N-[3-[(2,3-dihydroxybenzoyl)amino]propyl]-2-(2,3-dihydroxypheny
    • agrobactin
    • 4-Oxazolecarboxamide, N-(4-((2,3-dihydroxybenzoyl)amino)butyl)-N-(3-((2,3-dihydroxybenzoyl)amino)propyl)-2-(2,3-dihydroxyphenyl)-4,5-dihydro-5-methyl-, (4S-trans)-
    • 70393-50-9
    • CHEBI:211827
    • (4S,5R)-N-[4-[(2,3-dihydroxybenzoyl)amino]butyl]-N-[3-[(2,3-dihydroxybenzoyl)amino]propyl]-2-(2,3-dihydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide
    • Ferriagrobactin
    • N-(3-(2,3-Dihydroxybenzamido)propyl)-N-(4-(2,3- dihydroxybenzamido)butyl)-2-(2,3-dihydroxyphenyl)- trans-5-methyl-oxazoline-4-carboxamide
    • Inchi： 1S/C32H36N4O10/c1-18-25(35-31(46-18)21-10-6-13-24(39)28(21)42)32(45)36(17-7-15-34-30(44)20-9-5-12-23(38)27(20)41)16-3-2-14-33-29(43)19-8-4-11-22(37)26(19)40/h4-6,8-13,18,25,37-42H,2-3,7,14-17H2,1H3,(H,33,43)(H,34,44)/t18-,25+/m1/s1
    • InChI Key： BWPMKVHHFNGYEN-CJAUYULYSA-N
    • SMILES： O1C(C2C=CC=C(C=2O)O)=N[C@H](C(N(CCCNC(C2C=CC=C(C=2O)O)=O)CCCCNC(C2C=CC=C(C=2O)O)=O)=O)[C@H]1C

Computed Properties

  • Exact Mass: 636.24328
  • Monoisotopic Mass: 636.24314336g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 8
  • Hydrogen Bond Acceptor Count: 11
  • Heavy Atom Count: 46
  • Rotatable Bond Count: 13
  • Complexity: 1060
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.6
  • Topological Polar Surface Area: 222?2

Experimental Properties

  • PSA: 217.99

4-Oxazolecarboxamide,N-[4-[(2,3-dihydroxybenzoyl)amino]butyl]-N-[3-[(2,3-dihydroxybenzoyl)amino]propyl]-2-(2,3-dihydroxyphenyl)-4,5-dihydro-5-methyl-,(4S,5R)- Related Literature

Related Categories

70393-50-9 (4-Oxazolecarboxamide,N-[4-[(2,3-dihydroxybenzoyl)amino]butyl]-N-[3-[(2,3-dihydroxybenzoyl)amino]propyl]-2-(2,3-dihydroxyphenyl)-4,5-dihydro-5-methyl-,(4S,5R)-) Related Products

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