1-[3-[2-(tert-butyl)-1H-4-imidazolyl]-2-[5-oxo-(2S)-tetrahydro-1H-2-pyrrolylcarboxamido]-(2S)-propanoyl]-(2S)-tetrahydro-1H-2-pyrrolecarboxamide

HCID 11625898

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Basic information

Standard SMILES: CC(C)(C)c1ncc(C[C@H](NC(=O)[C@@H]2CCC(=O)N2)C(=O)N2CCC[C@H]2C(N)=O)[nH]1
InChIKey: QHZBXEVAWYKZHF-IHRRRGAJSA-N
Molecular formula: C20H30N6O4
Average molar mass: 418.5 g/mol
Monoisotopic mass: 418.23285346

Names & identifiers

Preferred name: 1-[3-[2-(tert-butyl)-1H-4-imidazolyl]-2-[5-oxo-(2S)-tetrahydro-1H-2-pyrrolylcarboxamido]-(2S)-propanoyl]-(2S)-tetrahydro-1H-2-pyrrolecarboxamide
IUPAC: (2S)-N-[(2S)-3-(2-tert-butyl-1H-imidazol-5-yl)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide

Names & synonyms

CHEMBL382714DTXSID001032218BDBM50173821(2S)-N-[(2S)-3-(2-tert-butyl-1H-imidazol-5-yl)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide1-[3-[2-(tert-butyl)-1H-4-imidazolyl]-2-[5-oxo-(2S)-tetrahydro-1H-2-pyrrolylcarboxamido]-(2S)-propanoyl]-(2S)-tetrahydro-1H-2-pyrrolecarboxamide

Database identifiers

PubChem CID: 11625898
DTXSID: DTXSID001032218
ChEMBL: CHEMBL382714

Properties

Computed structural properties

XLogP: -0.8
Topological polar surface area: 150 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 5
Rotatable bonds: 7
Heavy atoms: 30
Formal charge: 0
Complexity: 706

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