(2S)-2-(1-adamantylcarbonylamino)-3-methyl-N-(1H-1,2,4-triazol-5-yl)butanimidate

Systemtic Name: (2S)-2-(1-adamantylcarbonylamino)-3-methyl-N-(1H-1,2,4-triazol-5-yl)butanimidate Openeye Name: (2S)-2-(adamantane-1-carbonylamino)-3-methyl-N-(1H-1,2,4-triazol-5-yl)butanimidate CAS Name: (2S)-2-[[1-adamantyl(oxo)methyl]amino]-3-methyl-N-(1H-1,2,4-triazol-5-yl)butanimidate IUPAC Name: (2S)-2-(adamantane-1-carbonylamino)-3-methyl-N-(1H-1,2,4-triazol-5-yl)butanimidate Traditional Name: (2S)-2-(adamantane-1-carbonylamino)-3-methyl-N-(1H-1,2,4-triazol-5-yl)butyrimidate Formula: C18H26N5O2- MolecularWeight: 344.43134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=NC1=NC=NN1)[O-])NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)[C@@H](C(=NC1=NC=NN1)[O-])NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C18H27N5O2/c1-10(2)14(15(24)22-17-19-9-20-23-17)21-16(25)18-6-11-3-12(7-18)5-13(4-11)8-18/h9-14H,3-8H2,1-2H3,(H,21,25)(H2,19,20,22,23,24)/p-1/t11?,12?,13?,14-,18?/m0/s1