1,1-Dimethylethyl (3S)-4-oxo-3-[[(2S)-1-oxo-2-[[(phenylmethoxy)carbonyl]amino]propyl]amino]-5-(2,3,5,6-tetrafluorophenoxy)pentanoate

CAS Registry Number®

868565-57-5
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CAS Name

1,1-Dimethylethyl (3S)-4-oxo-3-[[(2S)-1-oxo-2-[[(phenylmethoxy)carbonyl]amino]propyl]amino]-5-(2,3,5,6-tetrafluorophenoxy)pentanoate

Molecular Formula

C26H28F4N2O7

Molecular Mass

556.50

Cite this Page

1,1-Dimethylethyl (3S)-4-oxo-3-[[(2S)-1-oxo-2-[[(phenylmethoxy)carbonyl]amino]propyl]amino]-5-(2,3,5,6-tetrafluorophenoxy)pentanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=868565-57-5 (retrieved 2024-08-05) (CAS RN: 868565-57-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C26H28F4N2O7/c1-14(31-25(36)38-12-15-8-6-5-7-9-15)24(35)32-18(11-20(34)39-26(2,3)4)19(33)13-37-23-21(29)16(27)10-17(28)22(23)30/h5-10,14,18H,11-13H2,1-4H3,(H,31,36)(H,32,35)/t14-,18-/m0/s1

InChIKey

InChIKey=DSKYVBHHQFETQW-KSSFIOAISA-N

SMILES

O(CC([C@@H](NC([C@@H](NC(OCC1=CC=CC=C1)=O)C)=O)CC(OC(C)(C)C)=O)=O)C2=C(F)C(F)=CC(F)=C2F

Canonical SMILES

O=C(OCC=1C=CC=CC1)NC(C(=O)NC(C(=O)COC=2C(F)=C(F)C=C(F)C2F)CC(=O)OC(C)(C)C)C

Other Names for this Substance

  • Pentanoic acid, 4-oxo-3-[[(2S)-1-oxo-2-[[(phenylmethoxy)carbonyl]amino]propyl]amino]-5-(2,3,5,6-tetrafluorophenoxy)-, 1,1-dimethylethyl ester, (3S)-
  • 1,1-Dimethylethyl (3S)-4-oxo-3-[[(2S)-1-oxo-2-[[(phenylmethoxy)carbonyl]amino]propyl]amino]-5-(2,3,5,6-tetrafluorophenoxy)pentanoate