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

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Basic information

Standard SMILES: CC(=O)N[C@@H](CCCCN(Cc1ccccc1)C(=O)N(CCCl)N=O)C(=O)NCc1ccccc1
InChIKey: QPCSANVWFZHCCL-QHCPKHFHSA-N
Molecular formula: C25H32ClN5O4
Average molar mass: 502 g/mol
Monoisotopic mass: 501.2142822

Names & identifiers

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

Names & synonyms

MCS-695DTXSID501026214(2S)-2-acetamido-N-benzyl-6-[benzyl-[2-chloroethyl(nitroso)carbamoyl]amino]hexanamideN2-Acetyl-N,N6-dibenzyl-N6-[(2-chloroethyl)(nitroso)carbamoyl]lysinamideN,N^6-Dibenzyl-N^2-acetyl-N^6-[[N-nitroso(2-chloroethyl)amino]carbonyl]-L-lysinamide

Database identifiers

PubChem CID: 460462
DTXSID: DTXSID501026214

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 111 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 13
Heavy atoms: 35
Formal charge: 0
Complexity: 668

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Compound notes

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