[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 3-(1-adamantylcarbamoylamino)propanoate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: [2-oxo-2-(2-thienylmethylamino)ethyl] 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid [2-keto-2-(2-thenylamino)ethyl] ester Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCC(=O)OCC(=O)NCC4=CC=CS4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCC(=O)OCC(=O)NCC4=CC=CS4

InChI

InChI=1S/C21H29N3O4S/c25-18(23-12-17-2-1-5-29-17)13-28-19(26)3-4-22-20(27)24-21-9-14-6-15(10-21)8-16(7-14)11-21/h1-2,5,14-16H,3-4,6-13H2,(H,23,25)(H2,22,24,27)