Cas no 102489-41-8 (Alaninamide,L-threonyl-2-(1-amino-3-hydroxy-1-propenyl)-5-methyl-4-oxazolecarbonyl-2-(aminomethoxymethyl)-4-thiazolecarbonyl-2-(1-amino-1-propenyl)-5-methyl-4-oxazolecarbonyl-2,3-didehydroalanyl-6-[2-(1-aminoethenyl)-4-oxazolyl]-5-(4-carboxy-2-thiazolyl)-2-pyridinecarbonyl-2,3-didehydroalanyl-2,3-didehydroalanyl-2,3-didehydro-,(6®1)-lactam (9CI))

Alaninamide,L-threonyl-2-(1-amino-3-hydroxy-1-propenyl)-5-methyl-4-oxazolecarbonyl-2-(aminomethoxymethyl)-4-thiazolecarbonyl-2-(1-amino-1-propenyl)-5-methyl-4-oxazolecarbonyl-2,3-didehydroalanyl-6-[2-(1-aminoethenyl)-4-oxazolyl]-5-(4-carboxy-2-thiazolyl)-2-pyridinecarbonyl-2,3-didehydroalanyl-2,3-didehydroalanyl-2,3-didehydro-,(6®1)-lactam (9CI) structure
102489-41-8 structure
Product Name:Alaninamide,L-threonyl-2-(1-amino-3-hydroxy-1-propenyl)-5-methyl-4-oxazolecarbonyl-2-(aminomethoxymethyl)-4-thiazolecarbonyl-2-(1-amino-1-propenyl)-5-methyl-4-oxazolecarbonyl-2,3-didehydroalanyl-6-[2-(1-aminoethenyl)-4-oxazolyl]-5-(4-carboxy-2-thiazolyl)-2-pyridinecarbonyl-2,3-didehydroalanyl-2,3-didehydroalanyl-2,3-didehydro-,(6®1)-lactam (9CI)
CAS No:102489-41-8
MF:C53H50N16O16S2
MW:1231.19170713425
CID:178760
PubChem ID:16132165
Update Time:2025-04-19

Alaninamide,L-threonyl-2-(1-amino-3-hydroxy-1-propenyl)-5-methyl-4-oxazolecarbonyl-2-(aminomethoxymethyl)-4-thiazolecarbonyl-2-(1-amino-1-propenyl)-5-methyl-4-oxazolecarbonyl-2,3-didehydroalanyl-6-[2-(1-aminoethenyl)-4-oxazolyl]-5-(4-carboxy-2-thiazolyl)-2-pyridinecarbonyl-2,3-didehydroalanyl-2,3-didehydroalanyl-2,3-didehydro-,(6®1)-lactam (9CI) Chemical and Physical Properties

Names and Identifiers

    • SulfomycinIII
    • Alaninamide,L-threonyl-2-(1-amino-3-hydroxy-1-propenyl)-5-methyl-4-oxazolecarbonyl-2-(aminomethoxymethyl)-4-thiazolecarbonyl-
    • 1)-lactam (9CI)
    • Alaninamide,L-threonyl-2-(1-amino-3-hydroxy-1-propenyl)-5-methyl-4-oxazolecarbonyl-2-(aminomethoxymethyl)-4-thiazolecarbonyl-2-(1-amino-1-propenyl)-5-methyl-4-oxazolecarbonyl-2,3-didehydroalanyl-6-[2-(1-aminoethenyl)-4-oxazolyl]-5-(4-carboxy-2-thiazolyl)-2-pyridinecarbonyl-2,3-didehydroalanyl-2,3-didehydroalanyl-2,3-didehydro-,(6&reg
    • Alaninamide, L-threonyl-2-(1-amino-3-hydroxy-1-propenyl)-5-methyl-4- oxazolecarbonyl-2-(aminomethoxymethyl)-4-thiazolecarbonyl-2-(1-amino-1-propenyl)-5-methyl-4-oxazolecarbonyl-2,3-didehydroalanyl-6-(2-(1-aminoethenyl)-4-oxazolyl)-5-(4-carboxy-2-thiazolyl)-2-pyridinecarbonyl-2,3-didehydroalanyl-2,3-didehydroalanyl-2,3-didehydro-, (6-1)-lactam
    • Sulfomycin III
    • 102489-41-8
    • Alaninamide,L-threonyl-2-(1-amino-3-hydroxy-1-propenyl)-5-methyl-4-oxazolecarbonyl-2-(aminomethoxymethyl)-4-thiazolecarbonyl-2-(1-amino-1-propenyl)-5-methyl-4-oxazolecarbonyl-2,3-didehydroalanyl-6-[2-(1-aminoethenyl)-4-oxazolyl]-5-(4-carboxy-2-thiazolyl)-2-pyridinecarbonyl-2,3-didehydroalanyl-2,3-didehydroalanyl-2,3-didehydro-,(6®1)-lactam (9CI)
    • Inchi: 1S/C53H50N16O16S2/c1-11-28-49-67-35(25(8)84-49)46(80)58-22(5)41(75)59-23(6)48-63-31(16-83-48)37-27(12-13-29(60-37)42(76)57-21(4)40(74)56-20(3)39(73)55-19(2)38(54)72)52-64-33(17-86-52)44(78)66-34(24(7)71)45(79)62-30(14-15-70)50-68-36(26(9)85-50)47(81)69-51(82-10)53-65-32(18-87-53)43(77)61-28/h11-14,16-18,24,34,51,70-71H,2-6,15H2,1,7-10H3,(H2,54,72)(H,55,73)(H,56,74)(H,57,76)(H,58,80)(H,59,75)(H,61,77)(H,62,79)(H,66,78)(H,69,81)/b28-11-,30-14-/t24-,34?,51?/m1/s1
    • InChI Key: KTTCPCJHFLBGGO-XEEHAJQZSA-N
    • SMILES: S1C=C2C(NC(C(N/C(=C\CO)/C3=NC(C(NC(C4=NC(C(N/C(=C\C)/C5=NC(C(NC(=C)C(NC(=C)C6=NC(=CO6)C6=C(C=CC(C(NC(=C)C(NC(=C)C(NC(=C)C(N)=O)=O)=O)=O)=N6)C1=N2)=O)=O)=C(C)O5)=O)=CS4)OC)=O)=C(C)O3)=O)[C@@H](C)O)=O

Computed Properties

  • Exact Mass: 1230.3037
  • Monoisotopic Mass: 1230.30321192g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 12
  • Hydrogen Bond Acceptor Count: 24
  • Heavy Atom Count: 87
  • Rotatable Bond Count: 10
  • Complexity: 2880
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 2
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.8
  • Topological Polar Surface Area: 528?2

Experimental Properties

  • PSA: 471.44

Alaninamide,L-threonyl-2-(1-amino-3-hydroxy-1-propenyl)-5-methyl-4-oxazolecarbonyl-2-(aminomethoxymethyl)-4-thiazolecarbonyl-2-(1-amino-1-propenyl)-5-methyl-4-oxazolecarbonyl-2,3-didehydroalanyl-6-[2-(1-aminoethenyl)-4-oxazolyl]-5-(4-carboxy-2-thiazolyl)-2-pyridinecarbonyl-2,3-didehydroalanyl-2,3-didehydroalanyl-2,3-didehydro-,(6®1)-lactam (9CI) Related Literature

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