ethyl (2S)-2-[1-adamantyloxycarbonyl(phenylmethoxycarbonyl)amino]-3-methyl-butanoate

Systemtic Name: ethyl (2S)-2-[1-adamantyloxycarbonyl(phenylmethoxycarbonyl)amino]-3-methyl-butanoate Openeye Name: ethyl (2S)-2-[1-adamantyloxycarbonyl(benzyloxycarbonyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[1-adamantyloxy(oxo)methyl]-phenylmethoxycarbonylamino]-3-methylbutanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[1-adamantyloxycarbonyl(phenylmethoxycarbonyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[1-adamantyloxycarbonyl(carbobenzoxy)amino]-3-methyl-butyric acid ethyl ester Formula: C26H35NO6 MolecularWeight: 457.5592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C)C)N(C(=O)OCC1=CC=CC=C1)C(=O)OC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCOC(=O)[C@H](C(C)C)N(C(=O)OCC1=CC=CC=C1)C(=O)OC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C26H35NO6/c1-4-31-23(28)22(17(2)3)27(24(29)32-16-18-8-6-5-7-9-18)25(30)33-26-13-19-10-20(14-26)12-21(11-19)15-26/h5-9,17,19-22H,4,10-16H2,1-3H3/t19?,20?,21?,22-,26?/m0/s1