4-[[5-[[(1R,2S)-2-methylcyclohexyl]amino]pyridin-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[5-[[(1R,2S)-2-methylcyclohexyl]amino]pyridin-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[5-[[(1R,2S)-2-methylcyclohexyl]amino]-2-pyridyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[5-[[(1R,2S)-2-methylcyclohexyl]amino]-2-pyridinyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[5-[[(1R,2S)-2-methylcyclohexyl]amino]pyridin-2-yl]amino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[[5-[[(1R,2S)-2-methylcyclohexyl]amino]-2-pyridyl]amino]butyric acid Formula: C16H23N3O3 MolecularWeight: 305.37212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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