(2S)-2-acetamido-6-[allylcarbamoyl(propyl)amino]-N-benzyl-hexanamide

HCID 460451

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Basic information

Standard SMILES: C=CCNC(=O)N(CCC)CCCC[C@H](NC(C)=O)C(=O)NCc1ccccc1
InChIKey: NEARHTGMTMCMPP-FQEVSTJZSA-N
Molecular formula: C22H34N4O3
Average molar mass: 402.5 g/mol
Monoisotopic mass: 402.26309096

Names & identifiers

Preferred name: (2S)-2-acetamido-6-[allylcarbamoyl(propyl)amino]-N-benzyl-hexanamide
IUPAC: (2S)-2-acetamido-N-benzyl-6-[prop-2-enylcarbamoyl(propyl)amino]hexanamide

Names & synonyms

MCS-679DTXSID201026160N2-Acetyl-N6-(allylcarbamoyl)-N-benzyl-N6-propyllysinamide(2S)-2-acetamido-6-[allylcarbamoyl(propyl)amino]-N-benzyl-hexanamideN-Benzyl-N^2-acetyl-N^6-propyl-N^6-[(allylamino)carbonyl]-L-lysinamide

Database identifiers

PubChem CID: 460451
DTXSID: DTXSID201026160

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 90.5 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 3
Rotatable bonds: 13
Heavy atoms: 29
Formal charge: 0
Complexity: 518

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