(2S)-2-acetamido-6-[[nitroso(prop-2-enyl)carbamoyl]-propyl-amino]-N-(phenylmethyl)hexanamide

Systemtic Name: (2S)-2-acetamido-6-[[nitroso(prop-2-enyl)carbamoyl]-propyl-amino]-N-(phenylmethyl)hexanamide Openeye Name: (2S)-2-acetamido-6-[[allyl(nitroso)carbamoyl]-propyl-amino]-N-benzyl-hexanamide CAS Name: (2S)-2-acetamido-6-[[[nitroso(prop-2-enyl)amino]-oxomethyl]-propylamino]-N-(phenylmethyl)hexanamide IUPAC Name: (2S)-2-acetamido-N-benzyl-6-[[nitroso(prop-2-enyl)carbamoyl]-propylamino]hexanamide Traditional Name: (2S)-2-acetamido-6-[[allyl(nitroso)carbamoyl]-propyl-amino]-N-benzyl-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)N(CC=C)N=O

Isomeric SMILES

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

InChI

InChI=1S/C22H33N5O4/c1-4-14-26(22(30)27(25-31)15-5-2)16-10-9-13-20(24-18(3)28)21(29)23-17-19-11-7-6-8-12-19/h5-8,11-12,20H,2,4,9-10,13-17H2,1,3H3,(H,23,29)(H,24,28)/t20-/m0/s1