(2R)-2-[[(1R,5S)-3-ethynyl-4-methyl-5-oxidanyl-cyclohex-3-en-1-yl]oxycarbonylamino]-3-methylsulfanyl-propanoic acid

Systemtic Name: (2R)-2-[[(1R,5S)-3-ethynyl-4-methyl-5-oxidanyl-cyclohex-3-en-1-yl]oxycarbonylamino]-3-methylsulfanyl-propanoic acid Openeye Name: (2R)-2-[[(1R,5S)-3-ethynyl-5-hydroxy-4-methyl-cyclohex-3-en-1-yl]oxycarbonylamino]-3-methylsulfanyl-propanoic acid CAS Name: (2R)-2-[[[(1R,5S)-3-ethynyl-5-hydroxy-4-methyl-1-cyclohex-3-enyl]oxy-oxomethyl]amino]-3-(methylthio)propanoic acid IUPAC Name: (2R)-2-[[(1R,5S)-3-ethynyl-5-hydroxy-4-methylcyclohex-3-en-1-yl]oxycarbonylamino]-3-methylsulfanylpropanoic acid Traditional Name: (2R)-2-[[(1R,5S)-3-ethynyl-5-hydroxy-4-methyl-cyclohex-3-en-1-yl]oxycarbonylamino]-3-(methylthio)propionic acid Formula: C14H19NO5S MolecularWeight: 313.36936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(CC1O)OC(=O)NC(CSC)C(=O)O)C#C

Isomeric SMILES

CC1=C(C[C@H](C[C@@H]1O)OC(=O)N[C@@H](CSC)C(=O)O)C#C

InChI

InChI=1S/C14H19NO5S/c1-4-9-5-10(6-12(16)8(9)2)20-14(19)15-11(7-21-3)13(17)18/h1,10-12,16H,5-7H2,2-3H3,(H,15,19)(H,17,18)/t10-,11+,12+/m1/s1