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
| 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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