(2S)-2-acetamido-6-(2-chloroethylcarbamoylamino)-N-(phenylmethyl)hexanamide

Systemtic Name: (2S)-2-acetamido-6-(2-chloroethylcarbamoylamino)-N-(phenylmethyl)hexanamide Openeye Name: (2S)-2-acetamido-N-benzyl-6-(2-chloroethylcarbamoylamino)hexanamide CAS Name: (2S)-2-acetamido-6-[[(2-chloroethylamino)-oxomethyl]amino]-N-(phenylmethyl)hexanamide IUPAC Name: (2S)-2-acetamido-N-benzyl-6-(2-chloroethylcarbamoylamino)hexanamide Traditional Name: (2S)-2-acetamido-N-benzyl-6-(2-chloroethylcarbamoylamino)hexanamide Formula: C18H27ClN4O3 MolecularWeight: 382.88498

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCCCNC(=O)NCCCl)C(=O)NCC1=CC=CC=C1

Isomeric SMILES

CC(=O)N[C@@H](CCCCNC(=O)NCCCl)C(=O)NCC1=CC=CC=C1

InChI

InChI=1S/C18H27ClN4O3/c1-14(24)23-16(9-5-6-11-20-18(26)21-12-10-19)17(25)22-13-15-7-3-2-4-8-15/h2-4,7-8,16H,5-6,9-13H2,1H3,(H,22,25)(H,23,24)(H2,20,21,26)/t16-/m0/s1