[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxidanylidene-ethyl] (2S)-2-benzamidopropanoate

Systemtic Name: [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxidanylidene-ethyl] (2S)-2-benzamidopropanoate Openeye Name: [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxo-ethyl] (2S)-2-benzamidopropanoate CAS Name: (2S)-2-benzamidopropanoic acid [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] (2S)-2-benzamidopropanoate Traditional Name: (2S)-2-benzamidopropionic acid [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-keto-ethyl] ester Formula: C24H32N2O4 MolecularWeight: 412.52188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC(C)C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)N[C@H](C)C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H32N2O4/c1-15(25-22(28)20-6-4-3-5-7-20)23(29)30-14-21(27)26-16(2)24-11-17-8-18(12-24)10-19(9-17)13-24/h3-7,15-19H,8-14H2,1-2H3,(H,25,28)(H,26,27)/t15-,16+,17?,18?,19?,24?/m0/s1