ethyl (2S)-2-[[(2S)-3-azanyl-2H-azirin-2-yl]carbonylamino]-2-phenyl-ethanoate

Systemtic Name: ethyl (2S)-2-[[(2S)-3-azanyl-2H-azirin-2-yl]carbonylamino]-2-phenyl-ethanoate Openeye Name: ethyl (2S)-2-[[(2S)-3-amino-2H-azirine-2-carbonyl]amino]-2-phenyl-acetate CAS Name: (2S)-2-[[[(2S)-3-amino-2H-azirin-2-yl]-oxomethyl]amino]-2-phenylacetic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[(2S)-3-amino-2H-azirine-2-carbonyl]amino]-2-phenylacetate Traditional Name: (2S)-2-[[(2S)-3-amino-2H-azirine-2-carbonyl]amino]-2-phenyl-acetic acid ethyl ester Formula: C13H15N3O3 MolecularWeight: 261.2765

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=CC=C1)NC(=O)C2C(=N2)N

Isomeric SMILES

CCOC(=O)[C@H](C1=CC=CC=C1)NC(=O)[C@@H]2C(=N2)N

InChI

InChI=1S/C13H15N3O3/c1-2-19-13(18)9(8-6-4-3-5-7-8)16-12(17)10-11(14)15-10/h3-7,9-10H,2H2,1H3,(H2,14,15)(H,16,17)/t9-,10-/m0/s1