(2S)-2-acetamido-6-[1-nitrosoprop-2-enylcarbamoyl-(phenylmethyl)amino]-N-(phenylmethyl)hexanamide

Systemtic Name: (2S)-2-acetamido-6-[1-nitrosoprop-2-enylcarbamoyl-(phenylmethyl)amino]-N-(phenylmethyl)hexanamide Openeye Name: (2S)-2-acetamido-N-benzyl-6-[benzyl(1-nitrosoallylcarbamoyl)amino]hexanamide CAS Name: (2S)-2-acetamido-6-[[(1-nitrosoprop-2-enylamino)-oxomethyl]-(phenylmethyl)amino]-N-(phenylmethyl)hexanamide IUPAC Name: (2S)-2-acetamido-N-benzyl-6-[benzyl(1-nitrosoprop-2-enylcarbamoyl)amino]hexanamide Traditional Name: (2S)-2-acetamido-N-benzyl-6-[benzyl(1-nitrosoallylcarbamoyl)amino]hexanamide Formula: C26H33N5O4 MolecularWeight: 479.57132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33N5O4/c1-3-24(30-35)29-26(34)31(19-22-14-8-5-9-15-22)17-11-10-16-23(28-20(2)32)25(33)27-18-21-12-6-4-7-13-21/h3-9,12-15,23-24H,1,10-11,16-19H2,2H3,(H,27,33)(H,28,32)(H,29,34)/t23-,24?/m0/s1