[(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 2-[(4-chloranylpyridin-2-yl)carbonylamino]ethanoate

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 2-[(4-chloranylpyridin-2-yl)carbonylamino]ethanoate Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate CAS Name: 2-[[(4-chloro-2-pyridinyl)-oxomethyl]amino]acetic acid [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate Traditional Name: 2-[(4-chloropicolinoyl)amino]acetic acid [(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H26ClN3O4 MolecularWeight: 419.90184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)CNC(=O)C4=NC=CC(=C4)Cl

Isomeric SMILES

C[C@H](C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)CNC(=O)C4=NC=CC(=C4)Cl

InChI

InChI=1S/C21H26ClN3O4/c1-12(29-18(26)11-24-20(28)17-7-16(22)2-3-23-17)19(27)25-21-8-13-4-14(9-21)6-15(5-13)10-21/h2-3,7,12-15H,4-6,8-11H2,1H3,(H,24,28)(H,25,27)/t12-,13?,14?,15?,21?/m1/s1