N-(2-Bromo-3-oxospiro[3.5]non-1-en-1-yl)-4-(2,7-naphthyridin-1-ylamino)-L-phenylalanine

CAS Registry Number®

455264-31-0

CAS Name

N-(2-Bromo-3-oxospiro[3.5]non-1-en-1-yl)-4-(2,7-naphthyridin-1-ylamino)-L-phenylalanine

Molecular Formula

C26H25BrN4O3

Molecular Mass

521.41

Cite this Page

N-(2-Bromo-3-oxospiro[3.5]non-1-en-1-yl)-4-(2,7-naphthyridin-1-ylamino)-L-phenylalanine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=455264-31-0 (retrieved 2024-11-22) (CAS RN: 455264-31-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C26H25BrN4O3/c27-21-22(26(23(21)32)10-2-1-3-11-26)31-20(25(33)34)14-16-4-6-18(7-5-16)30-24-19-15-28-12-8-17(19)9-13-29-24/h4-9,12-13,15,20,31H,1-3,10-11,14H2,(H,29,30)(H,33,34)/t20-/m0/s1

InChIKey

InChIKey=KYHVWHYLKOHLKA-FQEVSTJZSA-N

SMILES

N([C@@H](CC1=CC=C(NC=2C3=C(C=CN2)C=CN=C3)C=C1)C(O)=O)C=4C5(C(=O)C4Br)CCCCC5

Canonical SMILES

O=C(O)C(NC1=C(Br)C(=O)C12CCCCC2)CC3=CC=C(C=C3)NC=4N=CC=C5C=CN=CC54

Other Names for this Substance

  • L-Phenylalanine, N-(2-bromo-3-oxospiro[3.5]non-1-en-1-yl)-4-(2,7-naphthyridin-1-ylamino)-
  • N-(2-Bromo-3-oxospiro[3.5]non-1-en-1-yl)-4-(2,7-naphthyridin-1-ylamino)-L-phenylalanine
  • Zaurategrast
  • CT 7758
  • (S)-3-(4-((2,7-Naphthyridin-1-yl)amino)phenyl)-2-((2-bromo-3-oxospiro[3.5]non-1-en-1-yl)amino)propanoic acid

CAS INSIGHTSTM
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