S-{2-[(3-{4-[(4-{5-[(imidazo[1,2-a]pyridin-7-ylmethyl)carbamoyl]thiophen-2-yl}-1H-pyrazol-1-yl)methyl]-4-methylpiperidin-1-yl}-3-oxopropyl)amino]-2-oxoethyl}-L-cysteine
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Basic information
- Standard SMILES
CC1(Cn2cc(-c3ccc(C(=O)NCc4ccn5ccnc5c4)s3)cn2)CCN(C(=O)CCNC(=O)CSC[C@H](N)C(=O)O)CC1- InChIKey
NHGAYXLULMFYPQ-QHCPKHFHSA-N- Molecular formula
- C31H38N8O5S2
- Average molar mass
- 666.8 g/mol
- Monoisotopic mass
- 666.24065869
Names & identifiers
- Preferred name
- S-{2-[(3-{4-[(4-{5-[(imidazo[1,2-a]pyridin-7-ylmethyl)carbamoyl]thiophen-2-yl}-1H-pyrazol-1-yl)methyl]-4-methylpiperidin-1-yl}-3-oxopropyl)amino]-2-oxoethyl}-L-cysteine
- IUPAC
- (2R)-2-amino-3-[2-[[3-[4-[[4-[5-(imidazo[1,2-a]pyridin-7-ylmethylcarbamoyl)thiophen-2-yl]pyrazol-1-yl]methyl]-4-methylpiperidin-1-yl]-3-oxopropyl]amino]-2-oxoethyl]sulfanylpropanoic acid
Names & synonyms
SCHEMBL15380871NHGAYXLULMFYPQ-QHCPKHFHSA-NS-{2-[(3-{4-[(4-{5-[(imidazo[1,2-a]pyridin-7-ylmethyl)carbamoyl]thiophen-2-yl}-1H-pyrazol-1-yl)methyl]-4-methylpiperidin-1-yl}-3-oxopropyl)amino]-2-oxoethyl}-L-cysteine
Database identifiers
- PubChem CID
- 86702102
Properties
Computed structural propertiesFilling in
- XLogP
- -0.6
- Topological polar surface area
- 230 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 14
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,080
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Related reactions
1 records
Compound notes
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