AC1MIFTJ

(2S)-1-N-(2-chloroethyl)-2-N-[(2S)-2-(2-chloroethylamino)-4-methylpentanoyl]-1-N-nitrosopyrrolidine-1,2-dicarboxamide

Also Known As: 1-(((2-Chloroethyl)nitrosoamino)carbonyl)-L-prolyl-N-(2-chloroethyl)-L-leucinamide|L-Leucinamide, 1-(((2-chloroethyl)nitrosoamino)carbonyl)-L-prolyl-N-(2-chloroethyl)-|N-(Chloro-2 ethyl) N-nitrosocarbamoyl L-prolyl L-leucine chloro-2 ethylamide [French]|N-(Chloro-2 ethyl) N-nitrosocarbamoyl L-prolyl L-leucine chloro-2 ethylamide|(2S)-1-N-(2-chloroethyl)-2-N-[(2S)-2-(2-chloroethylamino)-4-methylpentanoyl]-1-N-nitrosopyrrolidine-1,2-dicarboxamide|(2S)-2-[(2-Chloroethyl)amino]-N-{1-[(2-chloroethyl)(nitroso)carbamoyl]-L-prolyl}-4-methylpentanimidic acid|2-[(2-Chloroethyl)amino]-N-{1-[(2-chloroethyl)(nitroso)carbamoyl]prolyl}-4-methylpentanimidic acid

Molecular Formula	C16H27Cl2N5O4
Molecular Weight	423.144 g/mol
LogP	1.6789
Topological Polar Surface Area	111.18 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	10
Exact Mass	423.144
Monoisotopic Mass	423.144
Heavy Atoms	27
Complexity	534.94

Chemical Identifiers

CAS Number	83472-46-2
SMILES	CC(C)C[C@@H](C(=O)NC(=O)[C@@H]1CCCN1C(=O)N(CCCl)N=O)NCCCl