(2S)-2-azanyl-8-[(2R,3R)-3-methyl-3,4-dihydro-2H-pyrrol-2-yl]-8-oxidanylidene-octanoic acid

Systemtic Name: (2S)-2-azanyl-8-[(2R,3R)-3-methyl-3,4-dihydro-2H-pyrrol-2-yl]-8-oxidanylidene-octanoic acid Openeye Name: (2S)-2-amino-8-[(2R,3R)-3-methyl-3,4-dihydro-2H-pyrrol-2-yl]-8-oxo-octanoic acid CAS Name: (2S)-2-amino-8-[(2R,3R)-3-methyl-3,4-dihydro-2H-pyrrol-2-yl]-8-oxooctanoic acid IUPAC Name: (2S)-2-amino-8-[(2R,3R)-3-methyl-3,4-dihydro-2H-pyrrol-2-yl]-8-oxooctanoic acid Traditional Name: (2S)-2-amino-8-keto-8-[(2R,3R)-3-methyl-1-pyrrolin-2-yl]caprylic acid Formula: C13H22N2O3 MolecularWeight: 254.32538

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC=NC1C(=O)CCCCCC(C(=O)O)N

Isomeric SMILES

C[C@@H]1CC=N[C@H]1C(=O)CCCCC[C@@H](C(=O)O)N

InChI

InChI=1S/C13H22N2O3/c1-9-7-8-15-12(9)11(16)6-4-2-3-5-10(14)13(17)18/h8-10,12H,2-7,14H2,1H3,(H,17,18)/t9-,10+,12-/m1/s1