(2S)-N1-[(16S)-16,21-Diamino-21-imino-15-oxo-6,10,14,20-tetraazaheneicos-1-yl]-2-[[(4-hydroxy-1H-indol-3-yl)acetyl]amino]butanediamide

CAS Registry Number®

111944-83-3
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CAS Name

(2S)-N1-[(16S)-16,21-Diamino-21-imino-15-oxo-6,10,14,20-tetraazaheneicos-1-yl]-2-[[(4-hydroxy-1H-indol-3-yl)acetyl]amino]butanediamide

Molecular Formula

C31H53N11O5

Molecular Mass

659.82

Cite this Page

(2S)-N1-[(16S)-16,21-Diamino-21-imino-15-oxo-6,10,14,20-tetraazaheneicos-1-yl]-2-[[(4-hydroxy-1H-indol-3-yl)acetyl]amino]butanediamide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=111944-83-3 (retrieved 2024-09-19) (CAS RN: 111944-83-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C31H53N11O5/c32-22(8-5-16-40-31(34)35)29(46)38-17-7-14-37-13-6-12-36-11-2-1-3-15-39-30(47)24(19-26(33)44)42-27(45)18-21-20-41-23-9-4-10-25(43)28(21)23/h4,9-10,20,22,24,36-37,41,43H,1-3,5-8,11-19,32H2,(H2,33,44)(H,38,46)(H,39,47)(H,42,45)(H4,34,35,40)/t22-,24-/m0/s1

InChIKey

InChIKey=ONYMEUPDKAAGRV-UPVQGACJSA-N

SMILES

C(C(N[C@H](C(NCCCCCNCCCNCCCNC([C@H](CCCNC(=N)N)N)=O)=O)CC(N)=O)=O)C=1C=2C(NC1)=CC=CC2O

Canonical SMILES

O=C(N)CC(NC(=O)CC1=CNC=2C=CC=C(O)C21)C(=O)NCCCCCNCCCNCCCNC(=O)C(N)CCCNC(=N)N

Other Names for this Substance

  • Butanediamide, N1-[(16S)-16,21-diamino-21-imino-15-oxo-6,10,14,20-tetraazaheneicos-1-yl]-2-[[(4-hydroxy-1H-indol-3-yl)acetyl]amino]-, (2S)-
  • Butanediamide, N1-(16,21-diamino-21-imino-15-oxo-6,10,14,20-tetraazaheneicos-1-yl)-2-[[(4-hydroxy-1H-indol-3-yl)acetyl]amino]-, [S-(R*,R*)]-
  • (2S)-N1-[(16S)-16,21-Diamino-21-imino-15-oxo-6,10,14,20-tetraazaheneicos-1-yl]-2-[[(4-hydroxy-1H-indol-3-yl)acetyl]amino]butanediamide
  • Argiotoxin 659