(2S)-2-acetamido-N-benzyl-5-[benzyl-[2-chloroethyl(nitroso)carbamoyl]amino]pentanamide

HCID 460458

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Basic information

Standard SMILES: CC(=O)N[C@@H](CCCN(Cc1ccccc1)C(=O)N(CCCl)N=O)C(=O)NCc1ccccc1
InChIKey: NLPSZLLIPMXARH-QFIPXVFZSA-N
Molecular formula: C24H30ClN5O4
Average molar mass: 488 g/mol
Monoisotopic mass: 487.1986321

Names & identifiers

Preferred name: (2S)-2-acetamido-N-benzyl-5-[benzyl-[2-chloroethyl(nitroso)carbamoyl]amino]pentanamide
IUPAC: (2S)-2-acetamido-N-benzyl-5-[benzyl-[2-chloroethyl(nitroso)carbamoyl]amino]pentanamide

Names & synonyms

MCS-689DTXSID301026218(2S)-2-acetamido-N-benzyl-5-[benzyl-[2-chloroethyl(nitroso)carbamoyl]amino]pentanamideN2-Acetyl-N,N5-dibenzyl-N5-[(2-chloroethyl)(nitroso)carbamoyl]ornithinamideN,N^5-Dibenzyl-N^2-acetyl-N^5-benzyl-N^5-[[N-nitroso(2-chloroethyl)amino]carbonyl]-L-ornithinamide

Database identifiers

PubChem CID: 460458
DTXSID: DTXSID301026218

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 111 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 12
Heavy atoms: 34
Formal charge: 0
Complexity: 653

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