Cas no 106396-24-1 (Oxiranecarboxylic acid,3-[[[2-[[4-[(aminoiminomethyl)amino]butyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxoethyl]amino]carbonyl]-(9CI))

Oxiranecarboxylic acid,3-[[[2-[[4-[(aminoiminomethyl)amino]butyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxoethyl]amino]carbonyl]-(9CI) structure
106396-24-1 structure
Product Name:Oxiranecarboxylic acid,3-[[[2-[[4-[(aminoiminomethyl)amino]butyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxoethyl]amino]carbonyl]-(9CI)
CAS No:106396-24-1
MF:C18H25N5O6
MW:407.421004056931
CID:151051
PubChem ID:129322
Update Time:2025-04-19

Oxiranecarboxylic acid,3-[[[2-[[4-[(aminoiminomethyl)amino]butyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxoethyl]amino]carbonyl]-(9CI) Chemical and Physical Properties

Names and Identifiers

    • Oxiranecarboxylic acid,3-[[[2-[[4-[(aminoiminomethyl)amino]butyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxoethyl]amino]carbonyl]-(9CI)
    • 3-[[1-[4-(diaminomethylideneamino)butylamino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]oxirane-2-carboxylic acid
    • estatin B
    • Oxiranecarboxylic acid,3-[[[2-[[4-[(aminoiminomethyl)amino]butyl]amino]-1-[(4-hydroxyphenyl)me...
    • Oxiranecarboxylic acid,3-[[[2-[[4-[(aminoiminomethyl)amino]butyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxoethyl]amino]carbonyl
    • 3-{[1-({4-[(diaminomethylidene)amino]butyl}amino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl}oxirane-2-carboxylic acid
    • Oxiranecarboxylic acid, 3-(((2-((4-((aminoiminomethyl)amino)butyl)amino)-1-((4-hydroxyphenyl)methyl)-2-oxoethyl)amino)carbonyl)-
    • 3-[[[2-[[4-[(Aminoiminomethyl)amino]butyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxoethyl]amino]carbonyl]-2-oxiranecarboxylic acid
    • 106396-24-1
    • 3-[({1-[(4-Carbamimidamidobutyl)imino]-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl}imino)(hydroxy)methyl]oxirane-2-carboxylic acid
    • DTXSID90909997
    • Inchi： 1S/C18H25N5O6/c19-18(20)22-8-2-1-7-21-15(25)12(9-10-3-5-11(24)6-4-10)23-16(26)13-14(29-13)17(27)28/h3-6,12-14,24H,1-2,7-9H2,(H,21,25)(H,23,26)(H,27,28)(H4,19,20,22)
    • InChI Key： IVRMXEFFYRZNCU-UHFFFAOYSA-N
    • SMILES： O1C(C(=O)O)C1C(NC(C(NCCCC/N=C(\N)/N)=O)CC1C=CC(=CC=1)O)=O

Computed Properties

  • Exact Mass: 407.18065
  • Monoisotopic Mass: 407.18
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 11
  • Complexity: 616
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 3
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -1
  • Topological Polar Surface Area: 193?2

Experimental Properties

  • Density: 1.53
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • Refractive Index: 1.667
  • PSA: 192.66
  • LogP: 1.52250

Oxiranecarboxylic acid,3-[[[2-[[4-[(aminoiminomethyl)amino]butyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxoethyl]amino]carbonyl]-(9CI) Related Literature

Related Categories

106396-24-1 (Oxiranecarboxylic acid,3-[[[2-[[4-[(aminoiminomethyl)amino]butyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxoethyl]amino]carbonyl]-(9CI)) Related Products

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