tert-butyl N-[1-azanyl-1,5-bis(oxidanylidene)pentan-2-yl]-N-(2-azanyl-3-phenylmethoxy-butanoyl)carbamate

Systemtic Name: tert-butyl N-[1-azanyl-1,5-bis(oxidanylidene)pentan-2-yl]-N-(2-azanyl-3-phenylmethoxy-butanoyl)carbamate Openeye Name: tert-butyl N-(2-amino-3-benzyloxy-butanoyl)-N-(1-carbamoyl-4-oxo-butyl)carbamate CAS Name: N-(1-amino-1,5-dioxopentan-2-yl)-N-(2-amino-1-oxo-3-phenylmethoxybutyl)carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-(1-amino-1,5-dioxopentan-2-yl)-N-(2-amino-3-phenylmethoxybutanoyl)carbamate Traditional Name: N-(2-amino-3-benzoxy-butanoyl)-N-(1-carbamoyl-4-keto-butyl)carbamic acid tert-butyl ester Formula: C21H31N3O6 MolecularWeight: 421.48734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)N(C(CCC=O)C(=O)N)C(=O)OC(C)(C)C)N)OCC1=CC=CC=C1

Isomeric SMILES

CC(C(C(=O)N(C(CCC=O)C(=O)N)C(=O)OC(C)(C)C)N)OCC1=CC=CC=C1

InChI

InChI=1S/C21H31N3O6/c1-14(29-13-15-9-6-5-7-10-15)17(22)19(27)24(20(28)30-21(2,3)4)16(18(23)26)11-8-12-25/h5-7,9-10,12,14,16-17H,8,11,13,22H2,1-4H3,(H2,23,26)