ethyl (2R,3R)-3-[[(2R)-1-(3-methylbutylamino)-1-oxidanylidene-3-(1-phenylethoxy)propan-2-yl]carbamoyl]oxirane-2-carboxylate

Systemtic Name: ethyl (2R,3R)-3-[[(2R)-1-(3-methylbutylamino)-1-oxidanylidene-3-(1-phenylethoxy)propan-2-yl]carbamoyl]oxirane-2-carboxylate Openeye Name: ethyl (2R,3R)-3-[[(1R)-2-(isopentylamino)-2-oxo-1-(1-phenylethoxymethyl)ethyl]carbamoyl]oxirane-2-carboxylate CAS Name: (2R,3R)-3-[[[(2R)-1-(3-methylbutylamino)-1-oxo-3-(1-phenylethoxy)propan-2-yl]amino]-oxomethyl]-2-oxiranecarboxylic acid ethyl ester IUPAC Name: ethyl (2R,3R)-3-[[(2R)-1-(3-methylbutylamino)-1-oxo-3-(1-phenylethoxy)propan-2-yl]carbamoyl]oxirane-2-carboxylate Traditional Name: (2R,3R)-3-[[(1R)-2-(isoamylamino)-2-keto-1-(1-phenylethoxymethyl)ethyl]carbamoyl]oxirane-2-carboxylic acid ethyl ester Formula: C22H32N2O6 MolecularWeight: 420.49928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(O1)C(=O)NC(COC(C)C2=CC=CC=C2)C(=O)NCCC(C)C

Isomeric SMILES

CCOC(=O)[C@H]1[C@@H](O1)C(=O)N[C@H](COC(C)C2=CC=CC=C2)C(=O)NCCC(C)C

InChI

InChI=1S/C22H32N2O6/c1-5-28-22(27)19-18(30-19)21(26)24-17(20(25)23-12-11-14(2)3)13-29-15(4)16-9-7-6-8-10-16/h6-10,14-15,17-19H,5,11-13H2,1-4H3,(H,23,25)(H,24,26)/t15?,17-,18-,19-/m1/s1