[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxidanylidene-ethyl] 3-(1-adamantylcarbamoylamino)propanoate

Systemtic Name: [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxidanylidene-ethyl] 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxo-ethyl] 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid [2-[1-cyclohexenyl(cyclopropyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-keto-ethyl] ester Formula: C25H37N3O4 MolecularWeight: 443.57898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)N(C2CC2)C(=O)COC(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CCC(=CC1)N(C2CC2)C(=O)COC(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H37N3O4/c29-22(28(21-6-7-21)20-4-2-1-3-5-20)16-32-23(30)8-9-26-24(31)27-25-13-17-10-18(14-25)12-19(11-17)15-25/h4,17-19,21H,1-3,5-16H2,(H2,26,27,31)