[2-oxidanylidene-2-(quinolin-5-ylamino)ethyl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: [2-oxidanylidene-2-(quinolin-5-ylamino)ethyl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: [2-oxo-2-(5-quinolylamino)ethyl] (2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid [2-oxo-2-(5-quinolinylamino)ethyl] ester IUPAC Name: [2-oxo-2-(quinolin-5-ylamino)ethyl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-methyl-butyric acid [2-keto-2-(5-quinolylamino)ethyl] ester Formula: C24H25N3O5 MolecularWeight: 435.4724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC1=CC=CC2=C1C=CC=N2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)NC1=CC=CC2=C1C=CC=N2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C24H25N3O5/c1-16(2)22(27-24(30)32-14-17-8-4-3-5-9-17)23(29)31-15-21(28)26-20-12-6-11-19-18(20)10-7-13-25-19/h3-13,16,22H,14-15H2,1-2H3,(H,26,28)(H,27,30)/t22-/m0/s1