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

Systemtic Name: 3-[3-azanyl-5,7-bis(2-carboxyethyl)-1-adamantyl]propanoic acid Openeye Name: 3-[3-amino-5,7-bis(2-carboxyethyl)-1-adamantyl]propanoic acid CAS Name: 3-[3-amino-5,7-bis(2-carboxyethyl)-1-adamantyl]propanoic acid IUPAC Name: 3-[3-amino-5,7-bis(2-carboxyethyl)-1-adamantyl]propanoic acid Traditional Name: 3-[3-amino-5,7-bis(2-carboxyethyl)-1-adamantyl]propionic acid Formula: C19H29NO6 MolecularWeight: 367.43666

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Descriptors Computed from Structure

Canonical SMILES:

C1C2(CC3(CC1(CC(C2)(C3)N)CCC(=O)O)CCC(=O)O)CCC(=O)O

Isomeric SMILES

C1C2(CC3(CC1(CC(C2)(C3)N)CCC(=O)O)CCC(=O)O)CCC(=O)O

InChI

InChI=1S/C19H29NO6/c20-19-10-16(4-1-13(21)22)7-17(11-19,5-2-14(23)24)9-18(8-16,12-19)6-3-15(25)26/h1-12,20H2,(H,21,22)(H,23,24)(H,25,26)