(2S)-2-acetamido-6-(1-nitrosoprop-2-enylcarbamoylamino)-N-(phenylmethyl)hexanamide

Systemtic Name: (2S)-2-acetamido-6-(1-nitrosoprop-2-enylcarbamoylamino)-N-(phenylmethyl)hexanamide Openeye Name: (2S)-2-acetamido-N-benzyl-6-(1-nitrosoallylcarbamoylamino)hexanamide CAS Name: (2S)-2-acetamido-6-[[(1-nitrosoprop-2-enylamino)-oxomethyl]amino]-N-(phenylmethyl)hexanamide IUPAC Name: (2S)-2-acetamido-N-benzyl-6-(1-nitrosoprop-2-enylcarbamoylamino)hexanamide Traditional Name: (2S)-2-acetamido-N-benzyl-6-(1-nitrosoallylcarbamoylamino)hexanamide Formula: C19H27N5O4 MolecularWeight: 389.44878

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCCCNC(=O)NC(C=C)N=O)C(=O)NCC1=CC=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C19H27N5O4/c1-3-17(24-28)23-19(27)20-12-8-7-11-16(22-14(2)25)18(26)21-13-15-9-5-4-6-10-15/h3-6,9-10,16-17H,1,7-8,11-13H2,2H3,(H,21,26)(H,22,25)(H2,20,23,27)/t16-,17?/m0/s1