[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl] (2S)-2-(1-adamantylcarbonylamino)-3-methyl-butanoate

Systemtic Name: [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl] (2S)-2-(1-adamantylcarbonylamino)-3-methyl-butanoate Openeye Name: [2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl] (2S)-2-(adamantane-1-carbonylamino)-3-methyl-butanoate CAS Name: (2S)-2-[[1-adamantyl(oxo)methyl]amino]-3-methylbutanoic acid [2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (2S)-2-(adamantane-1-carbonylamino)-3-methylbutanoate Traditional Name: (2S)-2-(adamantane-1-carbonylamino)-3-methyl-butyric acid [2-keto-2-[(5-methylisoxazol-3-yl)amino]ethyl] ester Formula: C22H31N3O5 MolecularWeight: 417.49864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)COC(=O)C(C(C)C)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CC(=NO1)NC(=O)COC(=O)[C@H](C(C)C)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H31N3O5/c1-12(2)19(20(27)29-11-18(26)23-17-4-13(3)30-25-17)24-21(28)22-8-14-5-15(9-22)7-16(6-14)10-22/h4,12,14-16,19H,5-11H2,1-3H3,(H,24,28)(H,23,25,26)/t14?,15?,16?,19-,22?/m0/s1