Ucb-1184197
ethyl (2S)-2-[(2-bromo-3-oxospiro[3.5]non-1-en-1-yl)amino]-3-[4-(2,7-naphthyridin-1-ylamino)phenyl]propanoate
Molecular Identity
Ucb-1184197
ethyl (2S)-2-[(2-bromo-3-oxospiro[3.5]non-1-en-1-yl)amino]-3-[4-(2,7-naphthyridin-1-ylamino)phenyl]propanoate
PubChem CID: 23394557
2D Structure
Properties
C28H29BrN4O3
Molecular Formula
549.50
Molecular Weight
g/mol
548.1423
Exact Mass
Da
6.1
XLogP
Above Lipinski threshold
93.2
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
7
H-Bond Acceptors
835
Complexity
SMILES
Canonical SMILES
SMILES: CCOC(=O)C(CC1=CC=C(C=C1)NC2=NC=CC3=C2C=NC=C3)NC4=C(C(=O)C45CCCCC5)BrIsomeric SMILES
SMILES: CCOC(=O)[C@H](CC1=CC=C(C=C1)NC2=NC=CC3=C2C=NC=C3)NC4=C(C(=O)C45CCCCC5)BrSynonyms(20)
455264-30-9Zaurategrast ethyl esterUCB-1184197CDP323CDP-3239A54BAZ0YADTXSID30196546L-Phenylalanine, N-(2-bromo-3-oxospiro(3.5)non-1-en-1-yl)-4-(2,7-naphthyridin-1-ylamino)-, ethyl esterRefChem:192868DTXCID70119037(S)-ethyl 3-(4-(2,7-naphthyridin-1-ylamino)phenyl)-2-(2-bromo-3-oxospiro[3.5]non-1-en-1-ylamino)propanoate(S)-ethyl 3-(4-((2,7-naphthyridin-1-yl)amino)phenyl)-2-((2-bromo-3-oxospiro[3.5]non-1-en-1-yl)amino)propanoateethyl (2S)-2-[(2-bromo-3-oxospiro[3.5]non-1-en-1-yl)amino]-3-[4-(2,7-naphthyridin-1-ylamino)phenyl]propanoateUNII-9A54BAZ0YACDP323;UCB1184197
Data from PubChem (NCBI)
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