Catalog Number:
AG00DB7U
Chemical Name:
Zaurategrast
CAS Number:
455264-31-0
Molecular Formula:
C26H25BrN4O3
Molecular Weight:
521.4057
MDL Number:
MFCD16657118
IUPAC Name:
(2S)-2-[(2-bromo-3-oxospiro[3.5]non-1-en-1-yl)amino]-3-[4-(2,7-naphthyridin-1-ylamino)phenyl]propanoic acid
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
InChI Key:
KYHVWHYLKOHLKA-FQEVSTJZSA-N
SMILES:
OC(=O)[C@@H](NC1=C(Br)C(=O)C21CCCCC2)Cc1ccc(cc1)Nc1nccc2c1cncc2
UNII:
06A0IC74I3
