(2S)-2-acetamido-6-[2-chloroethylcarbamoyl(propyl)amino]-N-(phenylmethyl)hexanamide

Systemtic Name: (2S)-2-acetamido-6-[2-chloroethylcarbamoyl(propyl)amino]-N-(phenylmethyl)hexanamide Openeye Name: (2S)-2-acetamido-N-benzyl-6-[2-chloroethylcarbamoyl(propyl)amino]hexanamide CAS Name: (2S)-2-acetamido-6-[[(2-chloroethylamino)-oxomethyl]-propylamino]-N-(phenylmethyl)hexanamide IUPAC Name: (2S)-2-acetamido-N-benzyl-6-[2-chloroethylcarbamoyl(propyl)amino]hexanamide Traditional Name: (2S)-2-acetamido-N-benzyl-6-[2-chloroethylcarbamoyl(propyl)amino]hexanamide Formula: C21H33ClN4O3 MolecularWeight: 424.96472

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCCCC(C(=O)NCC1=CC=CC=C1)NC(=O)C)C(=O)NCCCl

Isomeric SMILES

CCCN(CCCC[C@@H](C(=O)NCC1=CC=CC=C1)NC(=O)C)C(=O)NCCCl

InChI

InChI=1S/C21H33ClN4O3/c1-3-14-26(21(29)23-13-12-22)15-8-7-11-19(25-17(2)27)20(28)24-16-18-9-5-4-6-10-18/h4-6,9-10,19H,3,7-8,11-16H2,1-2H3,(H,23,29)(H,24,28)(H,25,27)/t19-/m0/s1