AC1L48YO structure

AC1L48YO

(2S)-3-[4-[bis(2-chloroethyl)amino]phenyl]-2-[(pyridine-4-carbonylamino)methylamino]propanoic acid

Also Known As: L-Phenylalanine, 4-(bis(2-chloroethyl)amino)-N-(((4-pyridinylcarbonyl)amino)methyl)-|1-Aziridinecarboxamide, N,N'-(4-chloro-1,3-phenylene)bis-|4-[Bis(2-chloroethyl)amino]-N-[(pyridine-4-carboxamido)methyl]-L-phenylalanine|4-[Bis(2-chloroethyl)amino]-N-{[(pyridine-4-carbonyl)amino]methyl}phenylalanine|L-Phenylalanine, 4-[bis(2-chloroethyl)amino]-N-[[(4-pyridinylcarbonyl)amino]methyl]-|(2S)-3-[4-[bis(2-chloroethyl)amino]phenyl]-2-[(pyridine-4-carbonylamino)methylamino]propanoic acid

CAS: 64398-85-2
Molecular Formula C20H24Cl2N4O3
Molecular Weight 438.12256 g/mol
LogP 0.4
Topological Polar Surface Area 94.6 Ų
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
Rotatable Bonds 12
Exact Mass 438.12256
Monoisotopic Mass 438.12256
Heavy Atoms 29
Complexity 492.0

Chemical Identifiers

CAS Number 64398-85-2
SMILES C1=CC(=CC=C1C[C@@H](C(=O)O)NCNC(=O)C2=CC=NC=C2)N(CCCl)CCCl
InChIKey KAIMBJYFEJQESE-SFHVURJKSA-N

Product Overview

AC1L48YO (CAS 64398-85-2), with molecular formula C20H24Cl2N4O3 and molecular weight 438.12256 g/mol. IUPAC: (2S)-3-[4-[bis(2-chloroethyl)amino]phenyl]-2-[(pyridine-4-carbonylamino)methylamino]propanoic acid.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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