2-[[3-(1-adamantylcarbamoylamino)phenyl]carbonyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[[3-(1-adamantylcarbamoylamino)phenyl]carbonyl-methyl-amino]ethanoic acid Openeye Name: 2-[[3-(1-adamantylcarbamoylamino)benzoyl]-methyl-amino]acetic acid CAS Name: 2-[[[3-[[(1-adamantylamino)-oxomethyl]amino]phenyl]-oxomethyl]-methylamino]acetic acid IUPAC Name: 2-[[3-(1-adamantylcarbamoylamino)benzoyl]-methylamino]acetic acid Traditional Name: 2-[[3-(1-adamantylcarbamoylamino)benzoyl]-methyl-amino]acetic acid Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)O)C(=O)C1=CC(=CC=C1)NC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CN(CC(=O)O)C(=O)C1=CC(=CC=C1)NC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H27N3O4/c1-24(12-18(25)26)19(27)16-3-2-4-17(8-16)22-20(28)23-21-9-13-5-14(10-21)7-15(6-13)11-21/h2-4,8,13-15H,5-7,9-12H2,1H3,(H,25,26)(H2,22,23,28)