methyl (2S)-2-[[(2S)-2-isocyanatopropanoyl]amino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[(2S)-2-isocyanatopropanoyl]amino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[(2S)-2-isocyanatopropanoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(2S)-2-isocyanato-1-oxopropyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-2-isocyanatopropanoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(2S)-2-isocyanatopropanoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C14H16N2O4 MolecularWeight: 276.28784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC1=CC=CC=C1)C(=O)OC)N=C=O

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OC)N=C=O

InChI

InChI=1S/C14H16N2O4/c1-10(15-9-17)13(18)16-12(14(19)20-2)8-11-6-4-3-5-7-11/h3-7,10,12H,8H2,1-2H3,(H,16,18)/t10-,12-/m0/s1