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

Systemtic Name: tert-butyl N-[1-[(6-azanyl-1-oxidanylidene-hexan-2-yl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-N-methyl-carbamate Openeye Name: tert-butyl N-[2-[(5-amino-1-formyl-pentyl)amino]-1-benzyl-2-oxo-ethyl]-N-methyl-carbamate CAS Name: N-[1-[(6-amino-1-oxohexan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]-N-methylcarbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[(6-amino-1-oxohexan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]-N-methylcarbamate Traditional Name: N-[2-[(5-amino-1-formyl-pentyl)amino]-1-benzyl-2-keto-ethyl]-N-methyl-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)C(CC1=CC=CC=C1)C(=O)NC(CCCCN)C=O

Isomeric SMILES

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

InChI

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