acet
3-[[3-[(2S)-2-amino-2-carboxyethyl]-5-methyl-2,6-dioxopyrimidin-1-yl]methyl]-5-phenylthiophene-2-carboxylic acid
Molecular Identity
acet
3-[[3-[(2S)-2-amino-2-carboxyethyl]-5-methyl-2,6-dioxopyrimidin-1-yl]methyl]-5-phenylthiophene-2-carboxylic acid
PubChem CID: 16125102
2D Structure
Properties
C20H19N3O6S
Molecular Formula
429.40
Molecular Weight
g/mol
429.0995
Exact Mass
Da
-1.1
XLogP
Drug-like (Lipinski: < 5)
169
TPSA
May have limited oral absorption
3
H-Bond Donors
8
H-Bond Acceptors
751
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
acet936095-50-0UBP316CHEMBL373429(S)-1-(2-amino-2-carboxyethyl)-3-(2-carboxy-5-phenylthiophene-3-yl-methyl)-5-methylpyrimidine-2,4-dione3-({3-[(2s)-2-Amino-2-Carboxyethyl]-5-Methyl-2,6-Dioxo-3,6-Dihydropyrimidin-1(2h)-Yl}methyl)-5-Phenylthiophene-2-Carboxylic Acid(alphaS)-alpha-Amino-3-[(2-carboxy-5-phenyl-3-thienyl)methyl]-3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinepropanoic acid3-[[3-[(2S)-2-amino-2-carboxyethyl]-5-methyl-2,6-dioxopyrimidin-1-yl]methyl]-5-phenylthiophene-2-carboxylic acidGTPL4123orb1704711BDBM50207591EX-A14545HB0102AKOS024457262NCGC00378702-01
Data from PubChem (NCBI)
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