(2S)-N1-(2-chloroethyl)-N2-[(2S)-2-(2-chloroethylamino)-4-methyl-pentanoyl]-N1-nitroso-pyrrolidine-1,2-dicarboxamide

Systemtic Name: (2S)-N1-(2-chloroethyl)-N2-[(2S)-2-(2-chloroethylamino)-4-methyl-pentanoyl]-N1-nitroso-pyrrolidine-1,2-dicarboxamide Openeye Name: (2S)-N1-(2-chloroethyl)-N2-[(2S)-2-(2-chloroethylamino)-4-methyl-pentanoyl]-N1-nitroso-pyrrolidine-1,2-dicarboxamide CAS Name: (2S)-N1-(2-chloroethyl)-N2-[(2S)-2-(2-chloroethylamino)-4-methyl-1-oxopentyl]-N1-nitrosopyrrolidine-1,2-dicarboxamide IUPAC Name: (2S)-1-N-(2-chloroethyl)-2-N-[(2S)-2-(2-chloroethylamino)-4-methylpentanoyl]-1-N-nitrosopyrrolidine-1,2-dicarboxamide Traditional Name: (2S)-N-(2-chloroethyl)-N'-[(2S)-2-(2-chloroethylamino)-4-methyl-pentanoyl]-N-nitroso-pyrrolidine-1,2-dicarboxamide Formula: C16H27Cl2N5O4 MolecularWeight: 424.32268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(=O)C1CCCN1C(=O)N(CCCl)N=O)NCCCl

Isomeric SMILES

CC(C)C[C@@H](C(=O)NC(=O)[C@@H]1CCCN1C(=O)N(CCCl)N=O)NCCCl

InChI

InChI=1S/C16H27Cl2N5O4/c1-11(2)10-12(19-7-5-17)14(24)20-15(25)13-4-3-8-22(13)16(26)23(21-27)9-6-18/h11-13,19H,3-10H2,1-2H3,(H,20,24,25)/t12-,13-/m0/s1