4-N-bis(2-chloroethyl)aminobenzoylglutamic acid
(2S)-2-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]pentanedioic acid
Also Known As: Cab-glutamic acid|4-N-Bis(2-chloroethyl)aminobenzoylglutamic acid|4-(bis(2-chloroethyl)amino) benzoyl-l-glutamic acid|N-{4-[Bis(2-chloroethyl)amino]benzoyl}glutamic acid|N-[4-[Bis(2-chloroethyl)amino]benzoyl]-L-glutamic acid|N-{4-[bis(2-chloroethyl)amino]benzoyl}-L-glutamic acid|L-Glutamic acid, N-(4-(bis(2-chloroethyl)amino)benzoyl)-|(2S)-2-({4-[bis(2-chloroethyl)amino]phenyl}formamido)pentanedioic acid|(2S)-2-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]pentanedioic acid
| Molecular Formula | C16H20Cl2N2O5 |
|---|---|
| Molecular Weight | 390.07492 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 390.07492 |
| Monoisotopic Mass | 390.07492 |
| Heavy Atoms | 25 |
| Complexity | 450.0 |
Chemical Identifiers
| CAS Number | 3086-06-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N(CCCl)CCCl |
| InChIKey | LRCUUYWRKCVRFZ-ZDUSSCGKSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-N-bis(2-chloroethyl)aminobenzoylglutamic acid (CAS 3086-06-4), with molecular formula C16H20Cl2N2O5 and molecular weight 390.07492 g/mol. IUPAC: (2S)-2-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]pentanedioic acid.