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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H33N3O6/c1-11(2)9-13(20-16(24)27-18(3,4)5)15(23)19-12-7-6-8-21(17(25)26)10-14(12)22/h11-14,22H,6-10H2,1-5H3,(H,19,23)(H,20,24)(H,25,26)