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

Systemtic Name: (2S)-2-acetamido-N-(phenylmethyl)-5-[(phenylmethyl)-(prop-2-enylcarbamoyl)amino]pentanamide Openeye Name: (2S)-2-acetamido-5-[allylcarbamoyl(benzyl)amino]-N-benzyl-pentanamide CAS Name: (2S)-2-acetamido-5-[[oxo-(prop-2-enylamino)methyl]-(phenylmethyl)amino]-N-(phenylmethyl)pentanamide IUPAC Name: (2S)-2-acetamido-N-benzyl-5-[benzyl(prop-2-enylcarbamoyl)amino]pentanamide Traditional Name: (2S)-2-acetamido-5-[allylcarbamoyl(benzyl)amino]-N-benzyl-valeramide Formula: C25H32N4O3 MolecularWeight: 436.54658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N4O3/c1-3-16-26-25(32)29(19-22-13-8-5-9-14-22)17-10-15-23(28-20(2)30)24(31)27-18-21-11-6-4-7-12-21/h3-9,11-14,23H,1,10,15-19H2,2H3,(H,26,32)(H,27,31)(H,28,30)/t23-/m0/s1