ethyl (2S,3S)-3-[[(2S)-1-(4-methylpiperazin-1-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]oxirane-2-carboxylate

Systemtic Name: ethyl (2S,3S)-3-[[(2S)-1-(4-methylpiperazin-1-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]oxirane-2-carboxylate Openeye Name: ethyl (2S,3S)-3-[[(1S)-1-benzyl-2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]carbamoyl]oxirane-2-carboxylate CAS Name: (2S,3S)-3-[[[(2S)-1-(4-methyl-1-piperazinyl)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-2-oxiranecarboxylic acid ethyl ester IUPAC Name: ethyl (2S,3S)-3-[[(2S)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamoyl]oxirane-2-carboxylate Traditional Name: (2S,3S)-3-[[(1S)-1-benzyl-2-keto-2-(4-methylpiperazino)ethyl]carbamoyl]oxirane-2-carboxylic acid ethyl ester Formula: C20H27N3O5 MolecularWeight: 389.44548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(O1)C(=O)NC(CC2=CC=CC=C2)C(=O)N3CCN(CC3)C

Isomeric SMILES

CCOC(=O)[C@@H]1[C@H](O1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N3CCN(CC3)C

InChI

InChI=1S/C20H27N3O5/c1-3-27-20(26)17-16(28-17)18(24)21-15(13-14-7-5-4-6-8-14)19(25)23-11-9-22(2)10-12-23/h4-8,15-17H,3,9-13H2,1-2H3,(H,21,24)/t15-,16-,17-/m0/s1