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

Systemtic Name: (2S)-2-acetamido-6-[1-nitrosoprop-2-enylcarbamoyl(propyl)amino]-N-(phenylmethyl)hexanamide Openeye Name: (2S)-2-acetamido-N-benzyl-6-[1-nitrosoallylcarbamoyl(propyl)amino]hexanamide CAS Name: (2S)-2-acetamido-6-[[(1-nitrosoprop-2-enylamino)-oxomethyl]-propylamino]-N-(phenylmethyl)hexanamide IUPAC Name: (2S)-2-acetamido-N-benzyl-6-[1-nitrosoprop-2-enylcarbamoyl(propyl)amino]hexanamide Traditional Name: (2S)-2-acetamido-N-benzyl-6-[1-nitrosoallylcarbamoyl(propyl)amino]hexanamide Formula: C22H33N5O4 MolecularWeight: 431.52852

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCCCC(C(=O)NCC1=CC=CC=C1)NC(=O)C)C(=O)NC(C=C)N=O

Isomeric SMILES

CCCN(CCCC[C@@H](C(=O)NCC1=CC=CC=C1)NC(=O)C)C(=O)NC(C=C)N=O

InChI

InChI=1S/C22H33N5O4/c1-4-14-27(22(30)25-20(5-2)26-31)15-10-9-13-19(24-17(3)28)21(29)23-16-18-11-7-6-8-12-18/h5-8,11-12,19-20H,2,4,9-10,13-16H2,1,3H3,(H,23,29)(H,24,28)(H,25,30)/t19-,20?/m0/s1