[2-(cyclopropylcarbamoylamino)-2-oxidanylidene-ethyl] (2S)-2-(1-adamantylcarbonylamino)-3-methyl-butanoate

Systemtic Name: [2-(cyclopropylcarbamoylamino)-2-oxidanylidene-ethyl] (2S)-2-(1-adamantylcarbonylamino)-3-methyl-butanoate Openeye Name: [2-(cyclopropylcarbamoylamino)-2-oxo-ethyl] (2S)-2-(adamantane-1-carbonylamino)-3-methyl-butanoate CAS Name: (2S)-2-[[1-adamantyl(oxo)methyl]amino]-3-methylbutanoic acid [2-[[(cyclopropylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylcarbamoylamino)-2-oxoethyl] (2S)-2-(adamantane-1-carbonylamino)-3-methylbutanoate Traditional Name: (2S)-2-(adamantane-1-carbonylamino)-3-methyl-butyric acid [2-(cyclopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C22H33N3O5 MolecularWeight: 419.51452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC(=O)NC1CC1)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)NC(=O)NC1CC1)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H33N3O5/c1-12(2)18(19(27)30-11-17(26)24-21(29)23-16-3-4-16)25-20(28)22-8-13-5-14(9-22)7-15(6-13)10-22/h12-16,18H,3-11H2,1-2H3,(H,25,28)(H2,23,24,26,29)/t13?,14?,15?,18-,22?/m0/s1