[2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 3-(1-adamantylcarbamoylamino)propanoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: [2-(allylcarbamoylamino)-2-oxo-ethyl] 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid [2-oxo-2-[[oxo-(prop-2-enylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid [2-(allylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H30N4O5 MolecularWeight: 406.476

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)NC(=O)COC(=O)CCNC(=O)NC12CC3CC(C1)CC(C3)C2

Isomeric SMILES

C=CCNC(=O)NC(=O)COC(=O)CCNC(=O)NC12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C20H30N4O5/c1-2-4-21-18(27)23-16(25)12-29-17(26)3-5-22-19(28)24-20-9-13-6-14(10-20)8-15(7-13)11-20/h2,13-15H,1,3-12H2,(H2,22,24,28)(H2,21,23,25,27)