3-[3,5-bis(2-carboxyethyl)-7-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]-1-adamantyl]propanoic acid

Systemtic Name: 3-[3,5-bis(2-carboxyethyl)-7-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]-1-adamantyl]propanoic acid Openeye Name: 3-[3-[6-(tert-butoxycarbonylamino)hexanoylamino]-5,7-bis(2-carboxyethyl)-1-adamantyl]propanoic acid CAS Name: 3-[3,5-bis(2-carboxyethyl)-7-[[6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxohexyl]amino]-1-adamantyl]propanoic acid IUPAC Name: 3-[3,5-bis(2-carboxyethyl)-7-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]-1-adamantyl]propanoic acid Traditional Name: 3-[3-[6-(tert-butoxycarbonylamino)hexanoylamino]-5,7-bis(2-carboxyethyl)-1-adamantyl]propionic acid Formula: C30H48N2O9 MolecularWeight: 580.71012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCCC(=O)NC12CC3(CC(C1)(CC(C3)(C2)CCC(=O)O)CCC(=O)O)CCC(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NCCCCCC(=O)NC12CC3(CC(C1)(CC(C3)(C2)CCC(=O)O)CCC(=O)O)CCC(=O)O

InChI

InChI=1S/C30H48N2O9/c1-26(2,3)41-25(40)31-14-6-4-5-7-21(33)32-30-18-27(11-8-22(34)35)15-28(19-30,12-9-23(36)37)17-29(16-27,20-30)13-10-24(38)39/h4-20H2,1-3H3,(H,31,40)(H,32,33)(H,34,35)(H,36,37)(H,38,39)