1,1-Dimethylethyl N-[(1S,3S,4S)-4-amino-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]carbamate butanedioate (2:1)

CAS Registry Number®

183388-64-9

CAS Name

1,1-Dimethylethyl N-[(1S,3S,4S)-4-amino-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]carbamate butanedioate (2:1)

Molecular Formula

C23H32N2O3.1/2C4H6O4

Cite this Page

1,1-Dimethylethyl N-[(1S,3S,4S)-4-amino-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]carbamate butanedioate (2:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=183388-64-9 (retrieved 2024-11-22) (CAS RN: 183388-64-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C23H32N2O3.C4H6O4/c1-23(2,3)28-22(27)25-19(14-17-10-6-4-7-11-17)16-21(26)20(24)15-18-12-8-5-9-13-18;5-3(6)1-2-4(7)8/h4-13,19-21,26H,14-16,24H2,1-3H3,(H,25,27);1-2H2,(H,5,6)(H,7,8)/t19-,20-,21-;/m0./s1

InChIKey

InChIKey=ZICUGSIJUKRRJL-OCIDDWSYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Butanedioic acid, compd. with 1,1-dimethylethyl N-[(1S,3S,4S)-4-amino-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]carbamate (1:2)
  • Butanedioic acid, compd. with [1S-(1R*,3R*,4R*)]-1,1-dimethylethyl [4-amino-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]carbamate (1:2)
  • Butanedioic acid, compd. with 1,1-dimethylethyl [(1S,3S,4S)-4-amino-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]carbamate (1:2)
  • Carbamic acid, [4-amino-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]-, 1,1-dimethylethyl ester, [1S-(1R*,3R*,4R*)]-, butanedioate (2:1) (salt)
  • Carbamic acid, [(1S,3S,4S)-4-amino-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]-, 1,1-dimethylethyl ester, butanedioate (2:1) (salt)

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration