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

Systemtic Name: ethyl 4-[3-[[(2R)-1-azanyl-1-oxidanylidene-4-phenyl-butan-2-yl]carbamoylamino]phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C25H31N5O5 MolecularWeight: 481.54414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N5O5/c1-2-35-25(34)30-15-13-29(14-16-30)23(32)19-9-6-10-20(17-19)27-24(33)28-21(22(26)31)12-11-18-7-4-3-5-8-18/h3-10,17,21H,2,11-16H2,1H3,(H2,26,31)(H2,27,28,33)/t21-/m1/s1