(2S)-2-acetamido-N-benzyl-6-[[methyl(nitroso)carbamoyl]-propyl-amino]hexanamide

HCID 460445

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Basic information

Standard SMILES: CCCN(CCCC[C@H](NC(C)=O)C(=O)NCc1ccccc1)C(=O)N(C)N=O
InChIKey: PUFIBAHYLNBWJV-SFHVURJKSA-N
Molecular formula: C20H31N5O4
Average molar mass: 405.5 g/mol
Monoisotopic mass: 405.23760449

Names & identifiers

Preferred name: (2S)-2-acetamido-N-benzyl-6-[[methyl(nitroso)carbamoyl]-propyl-amino]hexanamide
IUPAC: (2S)-2-acetamido-N-benzyl-6-[[methyl(nitroso)carbamoyl]-propylamino]hexanamide

Names & synonyms

MCS-670DTXSID601026162N2-Acetyl-N-benzyl-N6-[methyl(nitroso)carbamoyl]-N6-propyllysinamide(2S)-2-acetamido-N-benzyl-6-[[methyl(nitroso)carbamoyl]-propyl-amino]hexanamideN-Benzyl-N^2-acetyl-N^6-propyl-N^6-[(N-nitrosomethylamino)carbonyl]-L-lysinamide

Database identifiers

PubChem CID: 460445
DTXSID: DTXSID601026162

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 111 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 11
Heavy atoms: 29
Formal charge: 0
Complexity: 537

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