(2S)-2-acetamido-6-[nitrosomethylcarbamoyl(propyl)amino]-N-(phenylmethyl)hexanamide

Systemtic Name: (2S)-2-acetamido-6-[nitrosomethylcarbamoyl(propyl)amino]-N-(phenylmethyl)hexanamide Openeye Name: (2S)-2-acetamido-N-benzyl-6-[nitrosomethylcarbamoyl(propyl)amino]hexanamide CAS Name: (2S)-2-acetamido-6-[[(nitrosomethylamino)-oxomethyl]-propylamino]-N-(phenylmethyl)hexanamide IUPAC Name: (2S)-2-acetamido-N-benzyl-6-[nitrosomethylcarbamoyl(propyl)amino]hexanamide Traditional Name: (2S)-2-acetamido-N-benzyl-6-[nitrosomethylcarbamoyl(propyl)amino]hexanamide Formula: C20H31N5O4 MolecularWeight: 405.49124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N5O4/c1-3-12-25(20(28)22-15-23-29)13-8-7-11-18(24-16(2)26)19(27)21-14-17-9-5-4-6-10-17/h4-6,9-10,18H,3,7-8,11-15H2,1-2H3,(H,21,27)(H,22,28)(H,24,26)/t18-/m0/s1