3-[3-(6-azanylhexanoylamino)-5,7-bis(2-carboxyethyl)-1-adamantyl]propanoic acid

Systemtic Name: 3-[3-(6-azanylhexanoylamino)-5,7-bis(2-carboxyethyl)-1-adamantyl]propanoic acid Openeye Name: 3-[3-(6-aminohexanoylamino)-5,7-bis(2-carboxyethyl)-1-adamantyl]propanoic acid CAS Name: 3-[3-[(6-amino-1-oxohexyl)amino]-5,7-bis(2-carboxyethyl)-1-adamantyl]propanoic acid IUPAC Name: 3-[3-(6-aminohexanoylamino)-5,7-bis(2-carboxyethyl)-1-adamantyl]propanoic acid Traditional Name: 3-[3-(6-aminohexanoylamino)-5,7-bis(2-carboxyethyl)-1-adamantyl]propionic acid Formula: C25H40N2O7 MolecularWeight: 480.5943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2(CC3(CC1(CC(C2)(C3)NC(=O)CCCCCN)CCC(=O)O)CCC(=O)O)CCC(=O)O

Isomeric SMILES

C1C2(CC3(CC1(CC(C2)(C3)NC(=O)CCCCCN)CCC(=O)O)CCC(=O)O)CCC(=O)O

InChI

InChI=1S/C25H40N2O7/c26-11-3-1-2-4-18(28)27-25-15-22(8-5-19(29)30)12-23(16-25,9-6-20(31)32)14-24(13-22,17-25)10-7-21(33)34/h1-17,26H2,(H,27,28)(H,29,30)(H,31,32)(H,33,34)