tert-butyl N-[1-azanyl-3-(4H-imidazol-4-yl)-1-oxidanylidene-propan-2-yl]-N-(2-azanyl-3-phenyl-propanoyl)carbamate

Systemtic Name: tert-butyl N-[1-azanyl-3-(4H-imidazol-4-yl)-1-oxidanylidene-propan-2-yl]-N-(2-azanyl-3-phenyl-propanoyl)carbamate Openeye Name: tert-butyl N-[2-amino-1-(4H-imidazol-4-ylmethyl)-2-oxo-ethyl]-N-(2-amino-3-phenyl-propanoyl)carbamate CAS Name: N-[1-amino-3-(4H-imidazol-4-yl)-1-oxopropan-2-yl]-N-(2-amino-1-oxo-3-phenylpropyl)carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-amino-3-(4H-imidazol-4-yl)-1-oxopropan-2-yl]-N-(2-amino-3-phenylpropanoyl)carbamate Traditional Name: N-[2-amino-1-(4H-imidazol-4-ylmethyl)-2-keto-ethyl]-N-phenylalanyl-carbamic acid tert-butyl ester Formula: C20H27N5O4 MolecularWeight: 401.45948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C(CC1C=NC=N1)C(=O)N)C(=O)C(CC2=CC=CC=C2)N

Isomeric SMILES

CC(C)(C)OC(=O)N(C(CC1C=NC=N1)C(=O)N)C(=O)C(CC2=CC=CC=C2)N

InChI

InChI=1S/C20H27N5O4/c1-20(2,3)29-19(28)25(16(17(22)26)10-14-11-23-12-24-14)18(27)15(21)9-13-7-5-4-6-8-13/h4-8,11-12,14-16H,9-10,21H2,1-3H3,(H2,22,26)