Phebestin

CAS Registry Number®

187402-73-9
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CAS Name

Phebestin

Molecular Formula

C24H31N3O5

Molecular Mass

441.52

Cite this Page

Phebestin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=187402-73-9 (retrieved 2024-05-17) (CAS RN: 187402-73-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    188-191 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C24H31N3O5/c1-15(2)20(22(29)26-19(24(31)32)14-17-11-7-4-8-12-17)27-23(30)21(28)18(25)13-16-9-5-3-6-10-16/h3-12,15,18-21,28H,13-14,25H2,1-2H3,(H,26,29)(H,27,30)(H,31,32)/t18-,19+,20+,21+/m1/s1

InChIKey

InChIKey=GGMURINELPSPEF-ANULTFPQSA-N

SMILES

[C@@H](CC1=CC=CC=C1)(NC([C@@H](NC([C@H]([C@@H](CC2=CC=CC=C2)N)O)=O)C(C)C)=O)C(O)=O

Canonical SMILES

O=C(O)C(NC(=O)C(NC(=O)C(O)C(N)CC=1C=CC=CC1)C(C)C)CC=2C=CC=CC2

Other Names for this Substance

  • L-Phenylalanine, N-[(2S,3R)-3-amino-2-hydroxy-1-oxo-4-phenylbutyl]-L-valyl-
  • N-[(2S,3R)-3-Amino-2-hydroxy-1-oxo-4-phenylbutyl]-L-valyl-L-phenylalanine
  • Phebestin
  • NSC 702307

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