(2S)-2-acetamido-N-(phenylmethyl)-5-[prop-2-enylcarbamoyl(propyl)amino]pentanamide

Systemtic Name: (2S)-2-acetamido-N-(phenylmethyl)-5-[prop-2-enylcarbamoyl(propyl)amino]pentanamide Openeye Name: (2S)-2-acetamido-5-[allylcarbamoyl(propyl)amino]-N-benzyl-pentanamide CAS Name: (2S)-2-acetamido-5-[[oxo-(prop-2-enylamino)methyl]-propylamino]-N-(phenylmethyl)pentanamide IUPAC Name: (2S)-2-acetamido-N-benzyl-5-[prop-2-enylcarbamoyl(propyl)amino]pentanamide Traditional Name: (2S)-2-acetamido-5-[allylcarbamoyl(propyl)amino]-N-benzyl-valeramide Formula: C21H32N4O3 MolecularWeight: 388.50378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N4O3/c1-4-13-22-21(28)25(14-5-2)15-9-12-19(24-17(3)26)20(27)23-16-18-10-7-6-8-11-18/h4,6-8,10-11,19H,1,5,9,12-16H2,2-3H3,(H,22,28)(H,23,27)(H,24,26)/t19-/m0/s1