4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]-3-oxidanyl-azepane-1-carboxylic acid

Systemtic Name: 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]-3-oxidanyl-azepane-1-carboxylic acid Openeye Name: 4-[2-(tert-butoxycarbonylamino)hexanoylamino]-3-hydroxy-azepane-1-carboxylic acid CAS Name: 3-hydroxy-4-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxohexyl]amino]-1-azepanecarboxylic acid IUPAC Name: 3-hydroxy-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]azepane-1-carboxylic acid Traditional Name: 4-[2-(tert-butoxycarbonylamino)hexanoylamino]-3-hydroxy-azepane-1-carboxylic acid Formula: C18H33N3O6 MolecularWeight: 387.47112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC1CCCN(CC1O)C(=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCC(C(=O)NC1CCCN(CC1O)C(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C18H33N3O6/c1-5-6-8-13(20-16(24)27-18(2,3)4)15(23)19-12-9-7-10-21(17(25)26)11-14(12)22/h12-14,22H,5-11H2,1-4H3,(H,19,23)(H,20,24)(H,25,26)