4-[[6-[[(1R,2S)-2-methylcyclohexyl]amino]pyridin-3-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[6-[[(1R,2S)-2-methylcyclohexyl]amino]pyridin-3-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[6-[[(1R,2S)-2-methylcyclohexyl]amino]-3-pyridyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[6-[[(1R,2S)-2-methylcyclohexyl]amino]-3-pyridinyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[6-[[(1R,2S)-2-methylcyclohexyl]amino]pyridin-3-yl]amino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[[6-[[(1R,2S)-2-methylcyclohexyl]amino]-3-pyridyl]amino]butyric acid Formula: C16H23N3O3 MolecularWeight: 305.37212

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC2=NC=C(C=C2)NC(=O)CCC(=O)O

Isomeric SMILES

C[C@H]1CCCC[C@H]1NC2=NC=C(C=C2)NC(=O)CCC(=O)O

InChI

InChI=1S/C16H23N3O3/c1-11-4-2-3-5-13(11)19-14-7-6-12(10-17-14)18-15(20)8-9-16(21)22/h6-7,10-11,13H,2-5,8-9H2,1H3,(H,17,19)(H,18,20)(H,21,22)/t11-,13+/m0/s1