Basic information
- CAS
170969-75-2- Standard SMILES
NC(N)=NCCC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1- InChIKey
KUWBXRGRMQZCSS-QHCPKHFHSA-N- Molecular formula
- C27H31N5O3
- Average molar mass
- 473.6 g/mol
- Monoisotopic mass
- 473.24268987
Names & identifiers
- Preferred name
- Bibp-3435
- IUPAC
- (2S)-5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)amino]-N-[(4-hydroxyphenyl)methyl]pentanamide
Names & synonyms
BIBP-3435BIBP343562WN57Y66D170969-75-2RefChem:917159BIBP 3435CHEMBL2440929(2S)-5-carbamimidamido-2-(2,2-diphenylacetamido)-N-[(4-hydroxyphenyl)methyl]pentanamideBDBM50442584(2S)-5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)amino]-N-[(4-hydroxyphenyl)methyl]pentanamideBenzeneacetamide, N-[(1S)-4-[(aminoiminomethyl)amino]-1-[[[(4-hydroxyphenyl)methyl]amino]carbonyl]butyl]-alpha-phenyl-Benzeneacetamide, N-[4-[(aminoiminomethyl)amino]-1-[[[(4-hydroxyphenyl)methyl]amino]carbonyl]butyl]-alpha-phenyl-, (S)-
Show more names
N-[(1S)-4-[(Aminoiminomethyl)amino]-1-[[[(4-hydroxyphenyl)methyl]amino]carbonyl]butyl]-alpha-phenylbenzeneacetamide
Database identifiers
- CAS
170969-75-2- PubChem CID
- 9869458
- ChEMBL
CHEMBL2440929- UNII
- 62WN57Y66D
- Nikkaji
- J727.028C
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 658
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Agents that alleviate ANXIETY, tension, and ANXIETY DISORDERS, promote sedation, and have a calming effect without affecting clarity of consciousness or neurologic conditions. ADRENERGIC BETA-ANTAGONISTS are commonly used in the symptomatic treatment of anxiety but are not included here.
Related reactions
0 records
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Compound notes
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