tert-butyl N-[[4-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]cyclohexyl]methyl]carbamate

Systemtic Name: tert-butyl N-[[4-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]cyclohexyl]methyl]carbamate Openeye Name: tert-butyl N-[[4-[[(1S)-2-amino-1-benzyl-2-oxo-ethyl]carbamoyl]cyclohexyl]methyl]carbamate CAS Name: N-[[4-[[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]cyclohexyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclohexyl]methyl]carbamate Traditional Name: N-[[4-[[(1S)-2-amino-1-benzyl-2-keto-ethyl]carbamoyl]cyclohexyl]methyl]carbamic acid tert-butyl ester Formula: C22H33N3O4 MolecularWeight: 403.51512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1CCC(CC1)C(=O)NC(CC2=CC=CC=C2)C(=O)N

Isomeric SMILES

CC(C)(C)OC(=O)NCC1CCC(CC1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N

InChI

InChI=1S/C22H33N3O4/c1-22(2,3)29-21(28)24-14-16-9-11-17(12-10-16)20(27)25-18(19(23)26)13-15-7-5-4-6-8-15/h4-8,16-18H,9-14H2,1-3H3,(H2,23,26)(H,24,28)(H,25,27)/t16?,17?,18-/m0/s1