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

HCID 460461

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Basic information

Standard SMILES: CCCN(CCCC[C@H](NC(C)=O)C(=O)NCc1ccccc1)C(=O)N(CCCl)N=O
InChIKey: ASCDYYZLLAECJM-IBGZPJMESA-N
Molecular formula: C21H32ClN5O4
Average molar mass: 454 g/mol
Monoisotopic mass: 453.2142822

Names & identifiers

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

Names & synonyms

MCS-694DTXSID401026354(2S)-2-acetamido-N-benzyl-6-[[2-chloroethyl(nitroso)carbamoyl]-propyl-amino]hexanamideN-Benzyl-N^2-acetyl-N^6-propyl-N^6-[[N-nitroso(2-chloroethyl)amino]carbonyl]-L-lysinamideN2-Acetyl-N-benzyl-N6-[(2-chloroethyl)(nitroso)carbamoyl]-N6-propyllysinamide

Database identifiers

PubChem CID: 460461
DTXSID: DTXSID401026354

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 111 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 13
Heavy atoms: 31
Formal charge: 0
Complexity: 572

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