(2S)-2-acetamido-N-(phenylmethyl)-5-(prop-2-ynylcarbamoylamino)pentanamide

Systemtic Name: (2S)-2-acetamido-N-(phenylmethyl)-5-(prop-2-ynylcarbamoylamino)pentanamide Openeye Name: (2S)-2-acetamido-N-benzyl-5-(prop-2-ynylcarbamoylamino)pentanamide CAS Name: (2S)-2-acetamido-5-[[oxo-(prop-2-ynylamino)methyl]amino]-N-(phenylmethyl)pentanamide IUPAC Name: (2S)-2-acetamido-N-benzyl-5-(prop-2-ynylcarbamoylamino)pentanamide Traditional Name: (2S)-2-acetamido-N-benzyl-5-(propargylcarbamoylamino)valeramide Formula: C18H24N4O3 MolecularWeight: 344.40816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCCNC(=O)NCC#C)C(=O)NCC1=CC=CC=C1

Isomeric SMILES

CC(=O)N[C@@H](CCCNC(=O)NCC#C)C(=O)NCC1=CC=CC=C1

InChI

InChI=1S/C18H24N4O3/c1-3-11-19-18(25)20-12-7-10-16(22-14(2)23)17(24)21-13-15-8-5-4-6-9-15/h1,4-6,8-9,16H,7,10-13H2,2H3,(H,21,24)(H,22,23)(H2,19,20,25)/t16-/m0/s1