[2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-ethyl] 3-(1-adamantylcarbamoylamino)propanoate

Systemtic Name: [2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-ethyl] 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: [2-[(5-chloro-2-pyridyl)amino]-2-oxo-ethyl] 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-chloropyridin-2-yl)amino]-2-oxoethyl] 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid [2-[(5-chloro-2-pyridyl)amino]-2-keto-ethyl] ester Formula: C21H27ClN4O4 MolecularWeight: 434.91648

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCC(=O)OCC(=O)NC4=NC=C(C=C4)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCC(=O)OCC(=O)NC4=NC=C(C=C4)Cl

InChI

InChI=1S/C21H27ClN4O4/c22-16-1-2-17(24-11-16)25-18(27)12-30-19(28)3-4-23-20(29)26-21-8-13-5-14(9-21)7-15(6-13)10-21/h1-2,11,13-15H,3-10,12H2,(H2,23,26,29)(H,24,25,27)