[(2S)-1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 3-(1-adamantylcarbamoylamino)propanoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(7H-purin-6-ylamino)ethyl] 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid [(2S)-1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid [(1S)-2-keto-1-methyl-2-(7H-purin-6-ylamino)ethyl] ester Formula: C22H29N7O4 MolecularWeight: 455.51016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=NC2=C1NC=N2)OC(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C[C@@H](C(=O)NC1=NC=NC2=C1NC=N2)OC(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H29N7O4/c1-12(20(31)28-19-17-18(25-10-24-17)26-11-27-19)33-16(30)2-3-23-21(32)29-22-7-13-4-14(8-22)6-15(5-13)9-22/h10-15H,2-9H2,1H3,(H2,23,29,32)(H2,24,25,26,27,28,31)/t12-,13?,14?,15?,22?/m0/s1