methyl (2S)-2-[[(5-azanylpyridin-2-yl)methyl-methyl-carbamoyl]amino]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[[(5-azanylpyridin-2-yl)methyl-methyl-carbamoyl]amino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[[(5-amino-2-pyridyl)methyl-methyl-carbamoyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[[(5-amino-2-pyridinyl)methyl-methylamino]-oxomethyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(5-aminopyridin-2-yl)methyl-methylcarbamoyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[(5-amino-2-pyridyl)methyl-methyl-carbamoyl]amino]-3-methyl-butyric acid methyl ester Formula: C14H22N4O3 MolecularWeight: 294.34948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)N(C)CC1=NC=C(C=C1)N

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)NC(=O)N(C)CC1=NC=C(C=C1)N

InChI

InChI=1S/C14H22N4O3/c1-9(2)12(13(19)21-4)17-14(20)18(3)8-11-6-5-10(15)7-16-11/h5-7,9,12H,8,15H2,1-4H3,(H,17,20)/t12-/m0/s1