tert-butyl 2-[(3R,4R)-4-(1H-indol-3-yl)-2-oxidanylidene-3-(phenylmethoxycarbonylamino)piperidin-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[(3R,4R)-4-(1H-indol-3-yl)-2-oxidanylidene-3-(phenylmethoxycarbonylamino)piperidin-1-yl]ethanoate Openeye Name: tert-butyl 2-[(3R,4R)-3-(benzyloxycarbonylamino)-4-(1H-indol-3-yl)-2-oxo-1-piperidyl]acetate CAS Name: 2-[(3R,4R)-4-(1H-indol-3-yl)-2-oxo-3-(phenylmethoxycarbonylamino)-1-piperidinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(3R,4R)-4-(1H-indol-3-yl)-2-oxo-3-(phenylmethoxycarbonylamino)piperidin-1-yl]acetate Traditional Name: 2-[(3R,4R)-3-(benzyloxycarbonylamino)-4-(1H-indol-3-yl)-2-keto-piperidino]acetic acid tert-butyl ester Formula: C27H31N3O5 MolecularWeight: 477.55214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1CCC(C(C1=O)NC(=O)OCC2=CC=CC=C2)C3=CNC4=CC=CC=C43

Isomeric SMILES

CC(C)(C)OC(=O)CN1CC[C@@H]([C@H](C1=O)NC(=O)OCC2=CC=CC=C2)C3=CNC4=CC=CC=C43

InChI

InChI=1S/C27H31N3O5/c1-27(2,3)35-23(31)16-30-14-13-20(21-15-28-22-12-8-7-11-19(21)22)24(25(30)32)29-26(33)34-17-18-9-5-4-6-10-18/h4-12,15,20,24,28H,13-14,16-17H2,1-3H3,(H,29,33)/t20-,24-/m1/s1