tert-butyl N-[6-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-methyl-amino]-6-oxidanylidene-hexyl]carbamate

Systemtic Name: tert-butyl N-[6-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-methyl-amino]-6-oxidanylidene-hexyl]carbamate Openeye Name: tert-butyl N-[6-[[(1S)-2-amino-1-benzyl-2-oxo-ethyl]-methyl-amino]-6-oxo-hexyl]carbamate CAS Name: N-[6-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-methylamino]-6-oxohexyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[6-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-methylamino]-6-oxohexyl]carbamate Traditional Name: N-[6-[[(1S)-2-amino-1-benzyl-2-keto-ethyl]-methyl-amino]-6-keto-hexyl]carbamic acid tert-butyl ester Formula: C21H33N3O4 MolecularWeight: 391.50442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCCC(=O)N(C)C(CC1=CC=CC=C1)C(=O)N

Isomeric SMILES

CC(C)(C)OC(=O)NCCCCCC(=O)N(C)[C@@H](CC1=CC=CC=C1)C(=O)N

InChI

InChI=1S/C21H33N3O4/c1-21(2,3)28-20(27)23-14-10-6-9-13-18(25)24(4)17(19(22)26)15-16-11-7-5-8-12-16/h5,7-8,11-12,17H,6,9-10,13-15H2,1-4H3,(H2,22,26)(H,23,27)/t17-/m0/s1