3-[2-[[3-(1-adamantylmethylcarbamoyl)-4-chloranyl-phenyl]amino]ethylamino]propanoic acid

Systemtic Name: 3-[2-[[3-(1-adamantylmethylcarbamoyl)-4-chloranyl-phenyl]amino]ethylamino]propanoic acid Openeye Name: 3-[2-[3-(1-adamantylmethylcarbamoyl)-4-chloro-anilino]ethylamino]propanoic acid CAS Name: 3-[2-[3-[(1-adamantylmethylamino)-oxomethyl]-4-chloroanilino]ethylamino]propanoic acid IUPAC Name: 3-[2-[3-(1-adamantylmethylcarbamoyl)-4-chloroanilino]ethylamino]propanoic acid Traditional Name: 3-[2-[3-(1-adamantylmethylcarbamoyl)-4-chloro-anilino]ethylamino]propionic acid Formula: C23H32ClN3O3 MolecularWeight: 433.97148

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C(C=CC(=C4)NCCNCCC(=O)O)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C(C=CC(=C4)NCCNCCC(=O)O)Cl

InChI

InChI=1S/C23H32ClN3O3/c24-20-2-1-18(26-6-5-25-4-3-21(28)29)10-19(20)22(30)27-14-23-11-15-7-16(12-23)9-17(8-15)13-23/h1-2,10,15-17,25-26H,3-9,11-14H2,(H,27,30)(H,28,29)