(2S)-2-acetamido-5-[2-chloroethylcarbamoyl-(phenylmethyl)amino]-N-(phenylmethyl)pentanamide

Systemtic Name: (2S)-2-acetamido-5-[2-chloroethylcarbamoyl-(phenylmethyl)amino]-N-(phenylmethyl)pentanamide Openeye Name: (2S)-2-acetamido-N-benzyl-5-[benzyl(2-chloroethylcarbamoyl)amino]pentanamide CAS Name: (2S)-2-acetamido-5-[[(2-chloroethylamino)-oxomethyl]-(phenylmethyl)amino]-N-(phenylmethyl)pentanamide IUPAC Name: (2S)-2-acetamido-N-benzyl-5-[benzyl(2-chloroethylcarbamoyl)amino]pentanamide Traditional Name: (2S)-2-acetamido-N-benzyl-5-[benzyl(2-chloroethylcarbamoyl)amino]valeramide Formula: C24H31ClN4O3 MolecularWeight: 458.98094

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCCN(CC1=CC=CC=C1)C(=O)NCCCl)C(=O)NCC2=CC=CC=C2

Isomeric SMILES

CC(=O)N[C@@H](CCCN(CC1=CC=CC=C1)C(=O)NCCCl)C(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C24H31ClN4O3/c1-19(30)28-22(23(31)27-17-20-9-4-2-5-10-20)13-8-16-29(24(32)26-15-14-25)18-21-11-6-3-7-12-21/h2-7,9-12,22H,8,13-18H2,1H3,(H,26,32)(H,27,31)(H,28,30)/t22-/m0/s1