tert-butyl N-[(2S)-5-azanyl-1,5-bis(oxidanylidene)-1-(4-phenylpiperazin-1-yl)pentan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-5-azanyl-1,5-bis(oxidanylidene)-1-(4-phenylpiperazin-1-yl)pentan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-4-amino-4-oxo-1-(4-phenylpiperazine-1-carbonyl)butyl]carbamate CAS Name: N-[(2S)-5-amino-1,5-dioxo-1-(4-phenyl-1-piperazinyl)pentan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-5-amino-1,5-dioxo-1-(4-phenylpiperazin-1-yl)pentan-2-yl]carbamate Traditional Name: N-[(1S)-4-amino-4-keto-1-(4-phenylpiperazine-1-carbonyl)butyl]carbamic acid tert-butyl ester Formula: C20H30N4O4 MolecularWeight: 390.4766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCC(=O)N)C(=O)N1CCN(CC1)C2=CC=CC=C2

InChI

InChI=1S/C20H30N4O4/c1-20(2,3)28-19(27)22-16(9-10-17(21)25)18(26)24-13-11-23(12-14-24)15-7-5-4-6-8-15/h4-8,16H,9-14H2,1-3H3,(H2,21,25)(H,22,27)/t16-/m0/s1