Upacicalcet
(2S)-2-amino-3-[(3-chloro-2-methyl-5-sulfophenyl)carbamoylamino]propanoic acid
Molecular Identity
Upacicalcet
(2S)-2-amino-3-[(3-chloro-2-methyl-5-sulfophenyl)carbamoylamino]propanoic acid
PubChem CID: 53374467
2D Structure
Properties
C11H14ClN3O6S
Molecular Formula
351.76
Molecular Weight
g/mol
351.0292
Exact Mass
Da
-2.9
XLogP
Drug-like (Lipinski: < 5)
167
TPSA
May have limited oral absorption
5
H-Bond Donors
7
H-Bond Acceptors
522
Complexity
SMILES
Canonical SMILES
SMILES: CC1=C(C=C(C=C1Cl)S(=O)(=O)O)NC(=O)NCC(C(=O)O)NIsomeric SMILES
SMILES: CC1=C(C=C(C=C1Cl)S(=O)(=O)O)NC(=O)NC[C@@H](C(=O)O)NSynonyms(20)
Upacicalcet1333218-50-05C1222PBE2AJT240PLS240AJT-240PLS-240SK-1403L-Alanine, 3-((((3-chloro-2-methyl-5-sulfophenyl)amino)carbonyl)amino)-(2S)-2-Amino-3-(((3-chloro-2-methyl-5-sulfophenyl)carbamoyl)amino)propanoic acid(2S)-2-amino-3-{[(3-chloro-2-methyl-5-sulfophenyl)carbamoyl]amino}propanoic acidupacicalcetumL-Alanine, 3-[[[(3-chloro-2-methyl-5-sulfophenyl)amino]carbonyl]amino]-RefChem:193151Upacicalcet [INN]
Data from PubChem (NCBI)
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