(2S)-2-acetamido-N-benzyl-6-(2-chloroethylcarbamoylamino)hexanamide

HCID 460433

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Basic information

Standard SMILES: CC(=O)N[C@@H](CCCCNC(=O)NCCCl)C(=O)NCc1ccccc1
InChIKey: BNDQJOKGSNLGRU-INIZCTEOSA-N
Molecular formula: C18H27ClN4O3
Average molar mass: 382.9 g/mol
Monoisotopic mass: 382.1771684

Names & identifiers

Preferred name: (2S)-2-acetamido-N-benzyl-6-(2-chloroethylcarbamoylamino)hexanamide
IUPAC: (2S)-2-acetamido-N-benzyl-6-(2-chloroethylcarbamoylamino)hexanamide

Names & synonyms

MCS-690DTXSID901026161(2S)-2-acetamido-N-benzyl-6-(2-chloroethylcarbamoylamino)hexanamideN2-Acetyl-N-benzyl-N6-[(2-chloroethyl)carbamoyl]lysinamideN-Benzyl-N^2-acetyl-N^6-[(2-chloroethylamino)carbonyl]-L-lysinamide

Database identifiers

PubChem CID: 460433
DTXSID: DTXSID901026161

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 99.3 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 3
Rotatable bonds: 11
Heavy atoms: 26
Formal charge: 0
Complexity: 442

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