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

Systemtic Name: (2S)-2-acetamido-N-(phenylmethyl)-6-[prop-2-enylcarbamoyl(propyl)amino]hexanamide Openeye Name: (2S)-2-acetamido-6-[allylcarbamoyl(propyl)amino]-N-benzyl-hexanamide CAS Name: (2S)-2-acetamido-6-[[oxo-(prop-2-enylamino)methyl]-propylamino]-N-(phenylmethyl)hexanamide IUPAC Name: (2S)-2-acetamido-N-benzyl-6-[prop-2-enylcarbamoyl(propyl)amino]hexanamide Traditional Name: (2S)-2-acetamido-6-[allylcarbamoyl(propyl)amino]-N-benzyl-hexanamide Formula: C22H34N4O3 MolecularWeight: 402.53036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N4O3/c1-4-14-23-22(29)26(15-5-2)16-10-9-13-20(25-18(3)27)21(28)24-17-19-11-7-6-8-12-19/h4,6-8,11-12,20H,1,5,9-10,13-17H2,2-3H3,(H,23,29)(H,24,28)(H,25,27)/t20-/m0/s1