Asp-7991
4-[(3S,4S)-3-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-4-phenylpyrrolidine-1-carbonyl]oxybenzoic acid
Molecular Identity
Asp-7991
4-[(3S,4S)-3-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-4-phenylpyrrolidine-1-carbonyl]oxybenzoic acid
PubChem CID: 15605151
2D Structure
Properties
C31H30N2O4
Molecular Formula
494.60
Molecular Weight
g/mol
494.2206
Exact Mass
Da
3.4
XLogP
Drug-like (Lipinski: < 5)
78.9
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
5
H-Bond Acceptors
760
Complexity
SMILES
Canonical SMILES
SMILES: CC(C1=CC=CC2=CC=CC=C21)NCC3CN(CC3C4=CC=CC=C4)C(=O)OC5=CC=C(C=C5)C(=O)OIsomeric SMILES
SMILES: C[C@H](C1=CC=CC2=CC=CC=C21)NC[C@H]3CN(C[C@@H]3C4=CC=CC=C4)C(=O)OC5=CC=C(C=C5)C(=O)OSynonyms(9)
ASP-7991S5D6NEU9CWAsp7991915387-82-5RefChem:916321SCHEMBL4111691SCHEMBL299412481-Pyrrolidinecarboxylic acid, 3-[[[(1R)-1-(1-naphthalenyl)ethyl]amino]methyl]-4-phenyl-, 4-carboxyphenyl ester, (3S,4S)-4-Carboxyphenyl (3S,4S)-3-[[[(1R)-1-(1-naphthalenyl)ethyl]amino]methyl]-4-phenyl-1-pyrrolidinecarboxylate
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Asp-7991
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