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

Systemtic Name: (2S)-3-phenyl-2-(prop-2-ynylcarbamoylamino)propanoate Openeye Name: (2S)-3-phenyl-2-(prop-2-ynylcarbamoylamino)propanoate CAS Name: (2S)-2-[[oxo-(prop-2-ynylamino)methyl]amino]-3-phenylpropanoate IUPAC Name: (2S)-3-phenyl-2-(prop-2-ynylcarbamoylamino)propanoate Traditional Name: (2S)-3-phenyl-2-(propargylcarbamoylamino)propionate Formula: C13H13N2O3- MolecularWeight: 245.25392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O3/c1-2-8-14-13(18)15-11(12(16)17)9-10-6-4-3-5-7-10/h1,3-7,11H,8-9H2,(H,16,17)(H2,14,15,18)/p-1/t11-/m0/s1