Slv-334
(2R)-2-[[1-[[(3S)-1-(carboxymethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]carbamoyl]cyclopentyl]methyl]-4-naphthalen-1-ylbutanoic acid
Molecular Identity
Slv-334
(2R)-2-[[1-[[(3S)-1-(carboxymethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]carbamoyl]cyclopentyl]methyl]-4-naphthalen-1-ylbutanoic acid
PubChem CID: 11215055
2D Structure
Properties
C33H36N2O6
Molecular Formula
556.60
Molecular Weight
g/mol
556.2573
Exact Mass
Da
5.5
XLogP
Above Lipinski threshold
124
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
6
H-Bond Acceptors
961
Complexity
SMILES
Canonical SMILES
SMILES: C1CCC(C1)(CC(CCC2=CC=CC3=CC=CC=C32)C(=O)O)C(=O)NC4CCC5=CC=CC=C5N(C4=O)CC(=O)OIsomeric SMILES
SMILES: C1CCC(C1)(C[C@@H](CCC2=CC=CC3=CC=CC=C32)C(=O)O)C(=O)N[C@H]4CCC5=CC=CC=C5N(C4=O)CC(=O)OSynonyms(13)
SLV-334SLV3343613ZP748KUNII-3613ZP748K182821-33-61H-1-Benzazepine-1-acetic acid, 3-(((1-((2R)-2-carboxy-4-(1-naphthalenyl)butyl)cyclopentyl)carbonyl)amino)-2,3,4,5-tetrahydro-2-oxo-, (3S)-(2R)-2-((1-(((3S)-1-(carboxymethyl)-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl)carbamoyl)cyclopentyl)methyl)-4-(naphthalen-1-yl)butanoic acid(2R)-2-[(1-{[(3S)-1-(carboxymethyl)-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl]carbamoyl}cyclopentyl)methyl]-4-(naphthalen-1-yl)butanoic acidRefChem:183373SCHEMBL1980130CHEMBL4297432DB15356Q27887227
Data from PubChem (NCBI)
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