(2S)-2-acetamido-N-(phenylmethyl)-6-[(phenylmethyl)-(prop-2-enylcarbamoyl)amino]hexanamide

Systemtic Name: (2S)-2-acetamido-N-(phenylmethyl)-6-[(phenylmethyl)-(prop-2-enylcarbamoyl)amino]hexanamide Openeye Name: (2S)-2-acetamido-6-[allylcarbamoyl(benzyl)amino]-N-benzyl-hexanamide CAS Name: (2S)-2-acetamido-6-[[oxo-(prop-2-enylamino)methyl]-(phenylmethyl)amino]-N-(phenylmethyl)hexanamide IUPAC Name: (2S)-2-acetamido-N-benzyl-6-[benzyl(prop-2-enylcarbamoyl)amino]hexanamide Traditional Name: (2S)-2-acetamido-6-[allylcarbamoyl(benzyl)amino]-N-benzyl-hexanamide Formula: C26H34N4O3 MolecularWeight: 450.57316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34N4O3/c1-3-17-27-26(33)30(20-23-14-8-5-9-15-23)18-11-10-16-24(29-21(2)31)25(32)28-19-22-12-6-4-7-13-22/h3-9,12-15,24H,1,10-11,16-20H2,2H3,(H,27,33)(H,28,32)(H,29,31)/t24-/m0/s1