[2-oxidanylidene-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 3-(1-adamantylcarbamoylamino)propanoate

Systemtic Name: [2-oxidanylidene-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: [2-oxo-2-(tetralin-1-ylamino)ethyl] 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid [2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid [2-keto-2-(tetralin-1-ylamino)ethyl] ester Formula: C26H35N3O4 MolecularWeight: 453.5738

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=CC=CC=C2C1)NC(=O)COC(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CC(C2=CC=CC=C2C1)NC(=O)COC(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H35N3O4/c30-23(28-22-7-3-5-20-4-1-2-6-21(20)22)16-33-24(31)8-9-27-25(32)29-26-13-17-10-18(14-26)12-19(11-17)15-26/h1-2,4,6,17-19,22H,3,5,7-16H2,(H,28,30)(H2,27,29,32)