Cas no 94388-32-6 (2-Heptenoic acid,7-[[2-(acetylamino)-2-carboxyethyl]thio]-2-[[(2,2-dimethylcyclopropyl)carbonyl]amino]-,[R-[R*,S*-(Z)]]- (9CI))

2-Heptenoic acid,7-[[2-(acetylamino)-2-carboxyethyl]thio]-2-[[(2,2-dimethylcyclopropyl)carbonyl]amino]-,[R-[R*,S*-(Z)]]- (9CI) structure
94388-32-6 structure
Product Name:2-Heptenoic acid,7-[[2-(acetylamino)-2-carboxyethyl]thio]-2-[[(2,2-dimethylcyclopropyl)carbonyl]amino]-,[R-[R*,S*-(Z)]]- (9CI)
CAS No:94388-32-6
MF:C18H28N2O6S
MW:400.489724159241
CID:810671
PubChem ID:6438579
Update Time:2025-04-19

2-Heptenoic acid,7-[[2-(acetylamino)-2-carboxyethyl]thio]-2-[[(2,2-dimethylcyclopropyl)carbonyl]amino]-,[R-[R*,S*-(Z)]]- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 2-Heptenoic acid,7-[[2-(acetylamino)-2-carboxyethyl]thio]-2-[[(2,2-dimethylcyclopropyl)carbonyl]amino]-,[R-[R*,S*-(Z)]]- (9CI)
    • (Z)-7-[(2S)-2-acetamido-2-carboxyethyl]sulfanyl-2-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]hept-2-enoic acid
    • 2-Heptenoic acid,7-[[2-(acetylamino)-2-carboxyethyl]thio]-2-[[(2,2-dimethylcyclopropyl)carbonyl]amino]-,[R-[R*,S*-(Z)]]- (9CI
    • N-acetylcilastatin
    • CHEBI:165871
    • (Z)-7-[[(2S)-2-acetamido-2-carboxy-ethyl]thio]-2-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]hept-2-enoic acid
    • 94388-32-6
    • 2-Heptenoic acid, 7-((2-(acetylamino)-2-carboxyethyl)thio)-2-(((2,2-dimethylcyclopropyl)carbonyl)amino)-, (R-(R*,S*-(Z)))-
    • (Z)-7-[(2S)-2-acetamido-2-carboxyethyl]sulanyl-2-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]hept-2-enoic acid
    • Inchi： 1S/C18H28N2O6S/c1-11(21)19-14(17(25)26)10-27-8-6-4-5-7-13(16(23)24)20-15(22)12-9-18(12,2)3/h7,12,14H,4-6,8-10H2,1-3H3,(H,19,21)(H,20,22)(H,23,24)(H,25,26)/b13-7-/t12-,14-/m1/s1
    • InChI Key： SEQPPJZLZIXXRN-FZKSUDTASA-N
    • SMILES： S(C[C@H](C(=O)O)NC(C)=O)CCCC/C=C(/C(=O)O)\NC([C@H]1CC1(C)C)=O

Computed Properties

  • Exact Mass: 400.16680779g/mol
  • Monoisotopic Mass: 400.16680779g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 12
  • Complexity: 617
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.5
  • Topological Polar Surface Area: 158?2

2-Heptenoic acid,7-[[2-(acetylamino)-2-carboxyethyl]thio]-2-[[(2,2-dimethylcyclopropyl)carbonyl]amino]-,[R-[R*,S*-(Z)]]- (9CI) Related Literature

94388-32-6 (2-Heptenoic acid,7-[[2-(acetylamino)-2-carboxyethyl]thio]-2-[[(2,2-dimethylcyclopropyl)carbonyl]amino]-,[R-[R*,S*-(Z)]]- (9CI)) Related Products

Recommended suppliers
Jiangxi Boyang Pharmaceutical Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jiangxi Boyang Pharmaceutical Chemical Co., Ltd
Shanghai Pearlk Chemicals Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shanghai Aoguang Biotechnology Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shanghai Aoguang Biotechnology Co., Ltd
Hebei Liye chemical Co.,Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Hebei Liye chemical Co.,Ltd
Hangzhou TSurgeX Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Hangzhou TSurgeX Pharmaceutical Technology Co., Ltd.