tert-butyl 4-[3-[[(2R)-1-azanyl-1-oxidanylidene-4-phenyl-butan-2-yl]carbamoylamino]phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-[[(2R)-1-azanyl-1-oxidanylidene-4-phenyl-butan-2-yl]carbamoylamino]phenyl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-[[(1R)-1-carbamoyl-3-phenyl-propyl]carbamoylamino]benzoyl]piperazine-1-carboxylate CAS Name: 4-[[3-[[[[(2R)-1-amino-1-oxo-4-phenylbutan-2-yl]amino]-oxomethyl]amino]phenyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[[(2R)-1-amino-1-oxo-4-phenylbutan-2-yl]carbamoylamino]benzoyl]piperazine-1-carboxylate Traditional Name: 4-[3-[[(1R)-1-carbamoyl-3-phenyl-propyl]carbamoylamino]benzoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C27H35N5O5 MolecularWeight: 509.5973

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)NC(=O)NC(CCC3=CC=CC=C3)C(=O)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)NC(=O)N[C@H](CCC3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C27H35N5O5/c1-27(2,3)37-26(36)32-16-14-31(15-17-32)24(34)20-10-7-11-21(18-20)29-25(35)30-22(23(28)33)13-12-19-8-5-4-6-9-19/h4-11,18,22H,12-17H2,1-3H3,(H2,28,33)(H2,29,30,35)/t22-/m1/s1