tert-butyl 2-[(3R)-2-oxidanylidene-1-[(E)-N'-phenylmethoxycarbonylcarbamimidoyl]piperidin-3-yl]ethanoate

Systemtic Name: tert-butyl 2-[(3R)-2-oxidanylidene-1-[(E)-N'-phenylmethoxycarbonylcarbamimidoyl]piperidin-3-yl]ethanoate Openeye Name: tert-butyl 2-[(3R)-1-[(E)-N'-benzyloxycarbonylcarbamimidoyl]-2-oxo-3-piperidyl]acetate CAS Name: 2-[(3R)-1-[(E)-amino(phenylmethoxycarbonylimino)methyl]-2-oxo-3-piperidinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(3R)-2-oxo-1-[(E)-N'-phenylmethoxycarbonylcarbamimidoyl]piperidin-3-yl]acetate Traditional Name: 2-[(3R)-1-[(E)-N'-carbobenzoxyamidino]-2-keto-3-piperidyl]acetic acid tert-butyl ester Formula: C20H27N3O5 MolecularWeight: 389.44548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC1CCCN(C1=O)C(=NC(=O)OCC2=CC=CC=C2)N

Isomeric SMILES

CC(C)(C)OC(=O)C[C@H]1CCCN(C1=O)/C(=N/C(=O)OCC2=CC=CC=C2)/N

InChI

InChI=1S/C20H27N3O5/c1-20(2,3)28-16(24)12-15-10-7-11-23(17(15)25)18(21)22-19(26)27-13-14-8-5-4-6-9-14/h4-6,8-9,15H,7,10-13H2,1-3H3,(H2,21,22,26)/t15-/m1/s1