AC1L3X5E
methyl 2-[[(2S)-2-[[2-[4-[bis(2-chloroethyl)amino]phenyl]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoate;hydrochloride
Also Known As: N-(N-((4-(Bis(2-chloroethyl)amino)phenyl)acetyl)-L-histidyl)-DL-leucine methyl ester, monohydrochloride|DL-Leucine, N-(N-((4-(bis(2-chloroethyl)amino)phenyl)acetyl)-L-histidyl)-, methyl ester, monohydrochloride|(2S)-2-[(2-{4-[Bis(2-chloroethyl)amino]phenyl}-1-hydroxyethylidene)amino]-3-(1H-imidazol-5-yl)-N-(1-methoxy-4-methyl-1-oxopentan-2-yl)propanimidic acid--hydrogen chloride (1/1)|2-[(2-{4-[Bis(2-chloroethyl)amino]phenyl}-1-hydroxyethylidene)amino]-3-(1H-imidazol-5-yl)-N-(1-methoxy-4-methyl-1-oxopentan-2-yl)propanimidic acid--hydrogen chloride (1/1)|DL-Leucine, N-[N-[[4-[bis(2-chloroethyl)amino]phenyl]acetyl]-L-histidyl]-, methyl ester, monohydrochloride|methyl 2-[[(2S)-2-[[2-[4-[bis(2-chloroethyl)amino]phenyl]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoate hydrochloride
| Molecular Formula | C25H36Cl3N5O4 |
|---|---|
| Molecular Weight | 575.1833 g/mol |
| LogP | 3.0894 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 16 |
| Exact Mass | 575.1833 |
| Monoisotopic Mass | 575.1833 |
| Heavy Atoms | 37 |
| Complexity | 685.0 |
Chemical Identifiers
| CAS Number | 42575-83-7 |
|---|---|
| SMILES | CC(C)CC(C(=O)OC)NC(=O)[C@H](CC1=CN=CN1)NC(=O)CC2=CC=C(C=C2)N(CCCl)CCCl.Cl |
| InChIKey | DRPYFXNIUTUPCM-GYFCLUQUSA-N |
Product Overview
AC1L3X5E (CAS 42575-83-7), with molecular formula C25H36Cl3N5O4 and molecular weight 575.1833 g/mol. IUPAC: methyl 2-[[(2S)-2-[[2-[4-[bis(2-chloroethyl)amino]phenyl]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoate;hydrochloride.