[2-(1-adamantylamino)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(2-naphthalen-1-ylethanoylamino)butanoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(2-naphthalen-1-ylethanoylamino)butanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] (2S)-3-methyl-2-[[2-(1-naphthyl)acetyl]amino]butanoate CAS Name: (2S)-3-methyl-2-[[2-(1-naphthalenyl)-1-oxoethyl]amino]butanoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] (2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[[2-(1-naphthyl)acetyl]amino]butyric acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C29H36N2O4 MolecularWeight: 476.60714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC12CC3CC(C1)CC(C3)C2)NC(=O)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)NC12CC3CC(C1)CC(C3)C2)NC(=O)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C29H36N2O4/c1-18(2)27(30-25(32)13-23-8-5-7-22-6-3-4-9-24(22)23)28(34)35-17-26(33)31-29-14-19-10-20(15-29)12-21(11-19)16-29/h3-9,18-21,27H,10-17H2,1-2H3,(H,30,32)(H,31,33)/t19?,20?,21?,27-,29?/m0/s1