Lysine, N(sup 6)-((2-chloroethoxy)carbonyl)-N(sup 6)-nitroso-, L-

HCID 56159

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Basic information

CAS: 90957-40-7
Standard SMILES: N[C@@H](CCCCN(N=O)C(=O)OCCCl)C(=O)O
InChIKey: OYQOJZUBNHLAMB-ZETCQYMHSA-N
Molecular formula: C9H16ClN3O5
Average molar mass: 281.69 g/mol
Monoisotopic mass: 281.0778483

Names & identifiers

Preferred name: Lysine, N(sup 6)-((2-chloroethoxy)carbonyl)-N(sup 6)-nitroso-, L-
IUPAC: (2S)-2-amino-6-[2-chloroethoxycarbonyl(nitroso)amino]hexanoic acid

Names & synonyms

BRN 557715590957-40-7N(sup 6)-((2-Chloroethoxy)carbonyl)-N(sup 6)-nitroso-L-lysineLYSINE, N(sup 6)-((2-CHLOROETHOXY)CARBONYL)-N(sup 6)-NITROSO-, L-RefChem:351451DTXSID409200366-{[(2-Chloroethoxy)carbonyl](nitroso)amino}norleucine6-{[(2-Chloroethoxy)carbonyl](nitroso)amino}-L-norleucine

Database identifiers

CAS: 90957-40-7
PubChem CID: 56159
DTXSID: DTXSID40920036

Properties

Computed structural properties

XLogP: -2.1
Topological polar surface area: 122 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 9
Heavy atoms: 18
Formal charge: 0
Complexity: 289

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