3-[[[[4-[(2S)-3-Hydroxy-2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]propyl]phenyl]amino]carbonyl]amino]benzoic acid

CAS Registry Number®

760938-15-6

CAS Name

3-[[[[4-[(2S)-3-Hydroxy-2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]propyl]phenyl]amino]carbonyl]amino]benzoic acid

Molecular Formula

C26H29N3O6

Molecular Mass

479.53

Cite this Page

3-[[[[4-[(2S)-3-Hydroxy-2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]propyl]phenyl]amino]carbonyl]amino]benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=760938-15-6 (retrieved 2025-05-09) (CAS RN: 760938-15-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C26H29N3O6/c30-16-22(27-15-23(31)17-35-24-7-2-1-3-8-24)13-18-9-11-20(12-10-18)28-26(34)29-21-6-4-5-19(14-21)25(32)33/h1-12,14,22-23,27,30-31H,13,15-17H2,(H,32,33)(H2,28,29,34)/t22-,23-/m0/s1

InChIKey

InChIKey=IXYADUVJCRLTHX-GOTSBHOMSA-N

SMILES

N(C(NC1=CC=C(C[C@H](NC[C@@H](COC2=CC=CC=C2)O)CO)C=C1)=O)C3=CC(C(O)=O)=CC=C3

Canonical SMILES

O=C(O)C=1C=CC=C(C1)NC(=O)NC2=CC=C(C=C2)CC(NCC(O)COC=3C=CC=CC3)CO

Other Names for this Substance

  • Benzoic acid, 3-[[[[4-[(2S)-3-hydroxy-2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]propyl]phenyl]amino]carbonyl]amino]-
  • 3-[[[[4-[(2S)-3-Hydroxy-2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]propyl]phenyl]amino]carbonyl]amino]benzoic acid

CAS INSIGHTSTM
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