ethyl 1-[2-azanyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-6-(phenylmethoxycarbonylamino)hexanoyl]azecane-2-carboxylate

Systemtic Name: ethyl 1-[2-azanyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-6-(phenylmethoxycarbonylamino)hexanoyl]azecane-2-carboxylate Openeye Name: ethyl 1-[2-amino-6-(benzyloxycarbonylamino)-2-tert-butoxycarbonyl-hexanoyl]azecane-2-carboxylate CAS Name: 1-[2-amino-2-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-oxo-6-(phenylmethoxycarbonylamino)hexyl]-2-azecanecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-6-(phenylmethoxycarbonylamino)hexanoyl]azecane-2-carboxylate Traditional Name: 1-[2-amino-6-(benzyloxycarbonylamino)-2-tert-butoxycarbonyl-hexanoyl]azecane-2-carboxylic acid ethyl ester Formula: C31H49N3O7 MolecularWeight: 575.73666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCCCCCCN1C(=O)C(CCCCNC(=O)OCC2=CC=CC=C2)(C(=O)OC(C)(C)C)N

Isomeric SMILES

CCOC(=O)C1CCCCCCCCN1C(=O)C(CCCCNC(=O)OCC2=CC=CC=C2)(C(=O)OC(C)(C)C)N

InChI

InChI=1S/C31H49N3O7/c1-5-39-26(35)25-19-13-8-6-7-9-16-22-34(25)27(36)31(32,28(37)41-30(2,3)4)20-14-15-21-33-29(38)40-23-24-17-11-10-12-18-24/h10-12,17-18,25H,5-9,13-16,19-23,32H2,1-4H3,(H,33,38)