(2S)-3-(3-oxidanylidene-1,2-dihydropyrazol-4-yl)-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: (2S)-3-(3-oxidanylidene-1,2-dihydropyrazol-4-yl)-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: (2S)-2-(benzyloxycarbonylamino)-3-(3-oxo-1,2-dihydropyrazol-4-yl)propanoic acid CAS Name: (2S)-3-(3-oxo-1,2-dihydropyrazol-4-yl)-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: (2S)-3-(3-oxo-1,2-dihydropyrazol-4-yl)-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-(3-keto-3-pyrazolin-4-yl)propionic acid Formula: C14H15N3O5 MolecularWeight: 305.286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CC2=CNNC2=O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N[C@@H](CC2=CNNC2=O)C(=O)O

InChI

InChI=1S/C14H15N3O5/c18-12-10(7-15-17-12)6-11(13(19)20)16-14(21)22-8-9-4-2-1-3-5-9/h1-5,7,11H,6,8H2,(H,16,21)(H,19,20)(H2,15,17,18)/t11-/m0/s1