[2-[1-adamantyl(furan-2-ylmethyl)amino]-2-oxidanylidene-ethyl] 3-(aminocarbonylamino)propanoate

Systemtic Name: [2-[1-adamantyl(furan-2-ylmethyl)amino]-2-oxidanylidene-ethyl] 3-(aminocarbonylamino)propanoate Openeye Name: [2-[1-adamantyl(2-furylmethyl)amino]-2-oxo-ethyl] 3-ureidopropanoate CAS Name: 3-(carbamoylamino)propanoic acid [2-[1-adamantyl(2-furanylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[1-adamantyl(furan-2-ylmethyl)amino]-2-oxoethyl] 3-(carbamoylamino)propanoate Traditional Name: 3-ureidopropionic acid [2-[1-adamantyl(2-furfuryl)amino]-2-keto-ethyl] ester Formula: C21H29N3O5 MolecularWeight: 403.47206

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N(CC4=CC=CO4)C(=O)COC(=O)CCNC(=O)N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N(CC4=CC=CO4)C(=O)COC(=O)CCNC(=O)N

InChI

InChI=1S/C21H29N3O5/c22-20(27)23-4-3-19(26)29-13-18(25)24(12-17-2-1-5-28-17)21-9-14-6-15(10-21)8-16(7-14)11-21/h1-2,5,14-16H,3-4,6-13H2,(H3,22,23,27)