tert-butyl 4-[[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[[(1S)-1-benzyl-2-[(4-methoxyphenyl)methylamino]-2-oxo-ethyl]carbamoyl]piperazine-1-carboxylate CAS Name: 4-[[[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]piperazine-1-carboxylate Traditional Name: 4-[[(1S)-1-benzyl-2-keto-2-(p-anisylamino)ethyl]carbamoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C27H36N4O5 MolecularWeight: 496.59854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)NC(CC2=CC=CC=C2)C(=O)NCC3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NCC3=CC=C(C=C3)OC

InChI

InChI=1S/C27H36N4O5/c1-27(2,3)36-26(34)31-16-14-30(15-17-31)25(33)29-23(18-20-8-6-5-7-9-20)24(32)28-19-21-10-12-22(35-4)13-11-21/h5-13,23H,14-19H2,1-4H3,(H,28,32)(H,29,33)/t23-/m0/s1