Cas no 171864-90-7 (L-Phenylalanine,N-[(2S)-5-[(aminoiminomethyl)amino]-2-hydroxy-1-oxopentyl]-)

L-Phenylalanine,N-[(2S)-5-[(aminoiminomethyl)amino]-2-hydroxy-1-oxopentyl]- structure
171864-90-7 structure
Product Name:L-Phenylalanine,N-[(2S)-5-[(aminoiminomethyl)amino]-2-hydroxy-1-oxopentyl]-
CAS No:171864-90-7
MF:C15H22N4O4
MW:322.359583377838
CID:227112
Update Time:2024-03-01

L-Phenylalanine,N-[(2S)-5-[(aminoiminomethyl)amino]-2-hydroxy-1-oxopentyl]- Chemical and Physical Properties

Names and Identifiers

    • L-Phenylalanine,N-[(2S)-5-[(aminoiminomethyl)amino]-2-hydroxy-1-oxopentyl]-
    • L-Phenylalanine,N-[5-[(aminoiminomethyl)amino]-2-hydroxy-1-oxopentyl]-, (S)-
    • Monamidocin
    • L-Phenylalanine, N-[(2S)-5-[(aminoiminomethyl)amino]-2-hydroxy-1-oxopentyl]-
    • (S)-N-[5-[(Aminoiminomethyl)amino]-2-hydroxy-1-oxopentyl]-L-phenylalanine
    • Inchi: 1S/C15H22N4O4/c16-15(17)18-8-4-7-12(20)13(21)19-11(14(22)23)9-10-5-2-1-3-6-10/h1-3,5-6,11-12,20H,4,7-9H2,(H,19,21)(H,22,23)(H4,16,17,18)/t11-,12-/m0/s1
    • InChI Key: UVIGFTRCBVMVNN-RYUDHWBXSA-N
    • SMILES: C(O)(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](O)CCCNC(N)=N

Computed Properties

  • Exact Mass: 322.16426
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 23
  • XLogP3: -1.91

Experimental Properties

  • Density: 1.35±0.1 g/cm3(Predicted)
  • PSA: 137.04
  • pka: 3.51±0.10(Predicted)
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