tert-butyl N-(6-azanyl-1-oxidanylidene-hexan-2-yl)-N-[2-(methylamino)-3-phenyl-propanoyl]carbamate

Systemtic Name: tert-butyl N-(6-azanyl-1-oxidanylidene-hexan-2-yl)-N-[2-(methylamino)-3-phenyl-propanoyl]carbamate Openeye Name: tert-butyl N-(5-amino-1-formyl-pentyl)-N-[2-(methylamino)-3-phenyl-propanoyl]carbamate CAS Name: N-(6-amino-1-oxohexan-2-yl)-N-[2-(methylamino)-1-oxo-3-phenylpropyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-(6-amino-1-oxohexan-2-yl)-N-[2-(methylamino)-3-phenylpropanoyl]carbamate Traditional Name: N-(5-amino-1-formyl-pentyl)-N-[2-(methylamino)-3-phenyl-propanoyl]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)N(C(CCCCN)C=O)C(=O)C(CC1=CC=CC=C1)NC

Isomeric SMILES

CC(C)(C)OC(=O)N(C(CCCCN)C=O)C(=O)C(CC1=CC=CC=C1)NC

InChI

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