(2S)-2-(but-3-ynylcarbamoylamino)-3-phenyl-propanoate

Systemtic Name: (2S)-2-(but-3-ynylcarbamoylamino)-3-phenyl-propanoate Openeye Name: (2S)-2-(but-3-ynylcarbamoylamino)-3-phenyl-propanoate CAS Name: (2S)-2-[[(but-3-ynylamino)-oxomethyl]amino]-3-phenylpropanoate IUPAC Name: (2S)-2-(but-3-ynylcarbamoylamino)-3-phenylpropanoate Traditional Name: (2S)-2-(but-3-ynylcarbamoylamino)-3-phenyl-propionate Formula: C14H15N2O3- MolecularWeight: 259.2805

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCCNC(=O)NC(CC1=CC=CC=C1)C(=O)[O-]

Isomeric SMILES

C#CCCNC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)[O-]

InChI

InChI=1S/C14H16N2O3/c1-2-3-9-15-14(19)16-12(13(17)18)10-11-7-5-4-6-8-11/h1,4-8,12H,3,9-10H2,(H,17,18)(H2,15,16,19)/p-1/t12-/m0/s1