Mip-1095 i-131
(2S)-2-[[(1S)-1-carboxy-5-[(4-iodophenyl)carbamoylamino]pentyl]carbamoylamino]pentanedioic acid
Molecular Identity
Mip-1095 i-131
(2S)-2-[[(1S)-1-carboxy-5-[(4-iodophenyl)carbamoylamino]pentyl]carbamoylamino]pentanedioic acid
PubChem CID: 124220556
2D Structure
Properties
C19H25IN4O8
Molecular Formula
568.30
Molecular Weight
g/mol
568.0734
Exact Mass
Da
0.9
XLogP
Drug-like (Lipinski: < 5)
194
TPSA
May have limited oral absorption
7
H-Bond Donors
8
H-Bond Acceptors
670
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC(=CC=C1NC(=O)NCCCCC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O)IIsomeric SMILES
SMILES: C1=CC(=CC=C1NC(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)[131I]Synonyms(20)
MIP-1095 I-131UNII-7DM27RQ9V0Iodine I 131 MIP-1095Iodine I-131 MIP-1095131-I-MIP-1095(131)I-MIP-1095L-Glutamic acid, N-((((1S)-1-carboxy-5-((((4-(iodo-131I)phenyl)amino)carbonyl)amino)pentyl)amino)carbonyl)-((S)-2-(3-((S)-1-carboxy-5-(3-(4-((131)I)iodophenyl)ureido)pentyl)ureido)pentanedioic Acid((S)-2-(3-((S)-1-carboxy-5-(3-(4-[(131)I]iodophenyl)ureido)pentyl)ureido)pentanedioic Acid(2S)-2-((((1S)-1-carboxy-5-(((4-(131I)iodophenyl)carbamoyl)amino)pentyl)carbamoyl)amino)pentanedioic acid(2S)-2-({[(1S)-1-carboxy-5-({[4-(131I)iodophenyl]carbamoyl}amino)pentyl]carbamoyl}amino)pentanedioic acidRefChem:158998I-131 MIP-1095(131) I-MIP-1095131I-MIP-1095
Data from PubChem (NCBI)
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