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

Systemtic Name: tert-butyl N-[(2S)-4-azanyl-1,4-bis(oxidanylidene)-1-(4-phenylpiperazin-1-yl)butan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-3-amino-3-oxo-1-(4-phenylpiperazine-1-carbonyl)propyl]carbamate CAS Name: N-[(2S)-4-amino-1,4-dioxo-1-(4-phenyl-1-piperazinyl)butan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-4-amino-1,4-dioxo-1-(4-phenylpiperazin-1-yl)butan-2-yl]carbamate Traditional Name: N-[(1S)-3-amino-3-keto-1-(4-phenylpiperazine-1-carbonyl)propyl]carbamic acid tert-butyl ester Formula: C19H28N4O4 MolecularWeight: 376.45002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N4O4/c1-19(2,3)27-18(26)21-15(13-16(20)24)17(25)23-11-9-22(10-12-23)14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3,(H2,20,24)(H,21,26)/t15-/m0/s1