Cas no 877674-82-3 (Azanium;7-(2-amino-2-carboxyethyl)sulfanyl-2-[(2,2-dimethylcyclopropanecarbonyl)amino]hept-2-enoate)

Azanium;7-(2-amino-2-carboxyethyl)sulfanyl-2-[(2,2-dimethylcyclopropanecarbonyl)amino]hept-2-enoate structure
877674-82-3 structure
Product Name:Azanium;7-(2-amino-2-carboxyethyl)sulfanyl-2-[(2,2-dimethylcyclopropanecarbonyl)amino]hept-2-enoate
CAS No:877674-82-3
MF:C16H29N3O5S
MW:375.483563184738
CID:4557437
PubChem ID:118798993
Update Time:2024-12-09

Azanium;7-(2-amino-2-carboxyethyl)sulfanyl-2-[(2,2-dimethylcyclopropanecarbonyl)amino]hept-2-enoate Chemical and Physical Properties

Names and Identifiers

    • Azanium;7-(2-amino-2-carboxyethyl)sulfanyl-2-[(2,2-dimethylcyclopropanecarbonyl)amino]hept-2-enoate
    • 2-Heptenoic acid, 7-[[(2R)-2-amino-2-carboxyethyl]thio]-2-[[[(1S)-2,2-dimethylcyclopropyl]carbonyl]amino]-, monoammonium salt, (2Z)- (9CI)
    • 2-Heptenoic acid, 7-[[(2R)-2-amino-2-carboxyethyl]thio]-2-[[[(1S)-2,2-dimethylcyclopropyl]carbonyl]amino]-, ammonium salt (1:1), (2Z)-; 2-Heptenoic acid, 7-[[(2R)-2-amino-2-carboxyethyl]thio]-2-[[[(1S)-2,2-dimethylcyclopropyl]carbonyl]amino]-, monoammoniu
    • azanium;(Z)-7-[(2R)-2-amino-2-carboxyethyl]sulfanyl-2-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]hept-2-enoate
    • G79292
    • 1ST171350M
    • Cilastatin ammonium
    • CIlastatinammoniumsalt
    • CIlastatin ammonium salt
    • 877674-82-3
    • Inchi: 1S/C16H26N2O5S.H3N/c1-16(2)8-10(16)13(19)18-12(15(22)23)6-4-3-5-7-24-9-11(17)14(20)21;/h6,10-11H,3-5,7-9,17H2,1-2H3,(H,18,19)(H,20,21)(H,22,23);1H3
    • InChI Key: PEHMSHKUJVYVPY-UHFFFAOYSA-N
    • SMILES: S(CC(C(=O)O)N)CCCCC=C(C(=O)[O-])NC(C1CC1(C)C)=O.[NH4+]

Computed Properties

  • Exact Mass: 375.18279221 g/mol
  • Monoisotopic Mass: 375.18279221 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 10
  • Complexity: 513
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 1
  • Topological Polar Surface Area: 159
  • Molecular Weight: 375.5

Azanium;7-(2-amino-2-carboxyethyl)sulfanyl-2-[(2,2-dimethylcyclopropanecarbonyl)amino]hept-2-enoate Security Information

  • Hazardous Material transportation number:NONH for all modes of transport

Azanium;7-(2-amino-2-carboxyethyl)sulfanyl-2-[(2,2-dimethylcyclopropanecarbonyl)amino]hept-2-enoate Pricemore >>

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Azanium;7-(2-amino-2-carboxyethyl)sulfanyl-2-[(2,2-dimethylcyclopropanecarbonyl)amino]hept-2-enoate Related Literature

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