(2S)-N1-[5-[[3-[[4-[(3-Aminopropyl)amino]butyl]amino]-1-oxopropyl]amino]pentyl]-2-[2-[(2,4-dihydroxyphenyl)acetyl]amino]butanediamide

CAS Registry Number®

112163-33-4

CAS Name

(2S)-N1-[5-[[3-[[4-[(3-Aminopropyl)amino]butyl]amino]-1-oxopropyl]amino]pentyl]-2-[2-[(2,4-dihydroxyphenyl)acetyl]amino]butanediamide

Molecular Formula

C27H47N7O6

Molecular Mass

565.71

Cite this Page

(2S)-N1-[5-[[3-[[4-[(3-Aminopropyl)amino]butyl]amino]-1-oxopropyl]amino]pentyl]-2-[2-[(2,4-dihydroxyphenyl)acetyl]amino]butanediamide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=112163-33-4 (retrieved 2024-11-21) (CAS RN: 112163-33-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H47N7O6/c28-10-6-13-30-11-4-5-12-31-16-9-25(38)32-14-2-1-3-15-33-27(40)22(19-24(29)37)34-26(39)17-20-7-8-21(35)18-23(20)36/h7-8,18,22,30-31,35-36H,1-6,9-17,19,28H2,(H2,29,37)(H,32,38)(H,33,40)(H,34,39)/t22-/m0/s1

InChIKey

InChIKey=SJLRBGDPTALRDM-QFIPXVFZSA-N

SMILES

C(C(N[C@H](C(NCCCCCNC(CCNCCCCNCCCN)=O)=O)CC(N)=O)=O)C1=C(O)C=C(O)C=C1

Canonical SMILES

O=C(N)CC(NC(=O)CC1=CC=C(O)C=C1O)C(=O)NCCCCCNC(=O)CCNCCCCNCCCN

Other Names for this Substance

  • Butanediamide, N1-[5-[[3-[[4-[(3-aminopropyl)amino]butyl]amino]-1-oxopropyl]amino]pentyl]-2-[2-[(2,4-dihydroxyphenyl)acetyl]amino]-, (2S)-
  • Butanediamide, N1-[5-[[3-[[4-[(3-aminopropyl)amino]butyl]amino]-1-oxopropyl]amino]pentyl]-2-[[(2,4-dihydroxyphenyl)acetyl]amino]-, (S)-
  • Butanediamide, N1-[5-[[3-[[4-[(3-aminopropyl)amino]butyl]amino]-1-oxopropyl]amino]pentyl]-2-[[(2,4-dihydroxyphenyl)acetyl]amino]-, (2S)-
  • (2S)-N1-[5-[[3-[[4-[(3-Aminopropyl)amino]butyl]amino]-1-oxopropyl]amino]pentyl]-2-[2-[(2,4-dihydroxyphenyl)acetyl]amino]butanediamide
  • Neurotoxin 3 (Nephila clavata)

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Deleted or Replaced CAS Registry Numbers

114824-87-2

CAS INSIGHTSTM
Targeted protein degrader structure, illustration