ethyl (2R,3R)-3-[[(2R)-1-oxidanylidene-1-(5-oxidanylpentylamino)-4-phenyl-butan-2-yl]carbamoyl]oxirane-2-carboxylate

Systemtic Name: ethyl (2R,3R)-3-[[(2R)-1-oxidanylidene-1-(5-oxidanylpentylamino)-4-phenyl-butan-2-yl]carbamoyl]oxirane-2-carboxylate Openeye Name: ethyl (2R,3R)-3-[[(1R)-1-(5-hydroxypentylcarbamoyl)-3-phenyl-propyl]carbamoyl]oxirane-2-carboxylate CAS Name: (2R,3R)-3-[[[(2R)-1-(5-hydroxypentylamino)-1-oxo-4-phenylbutan-2-yl]amino]-oxomethyl]-2-oxiranecarboxylic acid ethyl ester IUPAC Name: ethyl (2R,3R)-3-[[(2R)-1-(5-hydroxypentylamino)-1-oxo-4-phenylbutan-2-yl]carbamoyl]oxirane-2-carboxylate Traditional Name: (2R,3R)-3-[[(1R)-1-(5-hydroxypentylcarbamoyl)-3-phenyl-propyl]carbamoyl]oxirane-2-carboxylic acid ethyl ester Formula: C21H30N2O6 MolecularWeight: 406.4727

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(O1)C(=O)NC(CCC2=CC=CC=C2)C(=O)NCCCCCO

Isomeric SMILES

CCOC(=O)[C@H]1[C@@H](O1)C(=O)N[C@H](CCC2=CC=CC=C2)C(=O)NCCCCCO

InChI

InChI=1S/C21H30N2O6/c1-2-28-21(27)18-17(29-18)20(26)23-16(12-11-15-9-5-3-6-10-15)19(25)22-13-7-4-8-14-24/h3,5-6,9-10,16-18,24H,2,4,7-8,11-14H2,1H3,(H,22,25)(H,23,26)/t16-,17-,18-/m1/s1