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fradafiban

PropertiesImage
MNX_IDMNXM156181 Image of MNXM156181
referencechebi:73266
formulaC20H21N3O4
global charge0
mol weight367.405
InChIKeyIKZACQMAVUIGPY-HOTGVXAUSA-N
InChIInChI=1S/C20H21N3O4/c21-19(22)14-3-1-12(2-4-14)13-5-7-17(8-6-13)27-11-16-9-15(10-18(24)25)20(26)23-16/h1-8,15-16H,9-11H2,(H3,21,22)(H,23,26)(H,24,25)/t15-,16-/m0/s1
SMILESN=C(N)C1=CC=C(C2=CC=C(OC[C@@H]3C[C@@H](CC(=O)O)C(=O)N3)C=C2)C=C1
MNX internals
InChI (mnx)InChI=1/C20H21N3O4/c21-19(22)14-3-1-12(2-4-14)13-5-7-17(8-6-13)27-11-16-9-15(10-18(24)25)20(26)23-16/h1-8,15-16H,9-11H2,(H3,21,22)(H,23,26)(H,24,25)/t15-,16-/m0/s1 Image of MNXM156181
SMILES (mnx)[CH:1]1=[CH:3][C:14]([C:19]([NH2:21])=[NH:22])=[CH:4][CH:2]=[C:12]1[C:13]1=[CH:6][CH:8]=[C:17]([O:27][CH2:11][C@@H:16]2[CH2:9][C@@H:15]([CH2:10][C:18](=[O:24])[OH:25])[C:20]([OH:26])=[N:23]2)[CH:7]=[CH:5]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:73266
chebi:73266
IKZACQMAVUIGPY-HOTGVXAUSA-N 		fradafiban
(3S,5S)-5-(((4'-amidino-4-biphenylyl)oxy)methyl)-2-oxo-3-pyrrolidineacetic acid
(3S-trans)-5-[[[4'-(aminoiminomethyl)[1,1'-biphenyl]-4-yl]oxy]methyl]-2-oxo-3-pyrrolidineacetic acid
[(3S,5S)-5-{[(4'-carbamimidoylbiphenyl-4-yl)oxy]methyl}-2-oxopyrrolidin-3-yl]acetic acid
fradafibanum
hmdb:HMDB0252485
IKZACQMAVUIGPY-UHFFFAOYSA-N 		Fradafiban
2-{5-[({4'-carbamimidoyl-[1,1'-biphenyl]-4-yl}oxy)methyl]-2-oxopyrrolidin-3-yl}acetic acid
{5-[({4'-carbamimidoyl-[1,1'-biphenyl]-4-yl}oxy)methyl]-2-oxopyrrolidin-3-yl}acetic acid