Methyl 4-[[(2S)-2-[[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methyl-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]benzoate

CAS Registry Number®

169322-17-2
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CAS Name

Methyl 4-[[(2S)-2-[[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methyl-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]benzoate

Molecular Formula

C22H33N3O6

Molecular Mass

435.51

Cite this Page

Methyl 4-[[(2S)-2-[[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methyl-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]benzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=169322-17-2 (retrieved 2024-09-19) (CAS RN: 169322-17-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H33N3O6/c1-13(2)10-16(12-19(26)25-30)20(27)24-18(11-14(3)4)21(28)23-17-8-6-15(7-9-17)22(29)31-5/h6-9,13-14,16,18,30H,10-12H2,1-5H3,(H,23,28)(H,24,27)(H,25,26)/t16-,18+/m1/s1

InChIKey

InChIKey=CEEASCNCHQSPKF-AEFFLSMTSA-N

SMILES

N(C([C@@H](NC([C@@H](CC(NO)=O)CC(C)C)=O)CC(C)C)=O)C1=CC=C(C(OC)=O)C=C1

Canonical SMILES

O=C(OC)C1=CC=C(C=C1)NC(=O)C(NC(=O)C(CC(=O)NO)CC(C)C)CC(C)C

Other Names for this Substance

  • Benzoic acid, 4-[[(2S)-2-[[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methyl-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-, methyl ester
  • Benzoic acid, 4-[[2-[[2-[2-(hydroxyamino)-2-oxoethyl]-4-methyl-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-, methyl ester, [S-(R*,S*)]-
  • Methyl 4-[[(2S)-2-[[(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methyl-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]benzoate
  • RS 39066

Deleted or Replaced CAS Registry Numbers

179797-60-5