3-azanyl-4-[[1-methoxy-1-oxidanylidene-3-[(2,2,4-trimethyl-3-bicyclo[2.2.1]heptanyl)sulfanyl]propan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-azanyl-4-[[1-methoxy-1-oxidanylidene-3-[(2,2,4-trimethyl-3-bicyclo[2.2.1]heptanyl)sulfanyl]propan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-[[2-methoxy-2-oxo-1-[(1,3,3-trimethylnorbornan-2-yl)sulfanylmethyl]ethyl]amino]-4-oxo-butanoic acid CAS Name: 3-amino-4-[[1-methoxy-1-oxo-3-[(2,2,4-trimethyl-3-bicyclo[2.2.1]heptanyl)thio]propan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 3-amino-4-[[1-methoxy-1-oxo-3-[(2,2,4-trimethyl-3-bicyclo[2.2.1]heptanyl)sulfanyl]propan-2-yl]amino]-4-oxobutanoic acid Traditional Name: 3-amino-4-keto-4-[[2-keto-2-methoxy-1-[[(1,3,3-trimethylnorbornan-2-yl)thio]methyl]ethyl]amino]butyric acid Formula: C18H30N2O5S MolecularWeight: 386.5062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC(C2)(C1SCC(C(=O)OC)NC(=O)C(CC(=O)O)N)C)C

Isomeric SMILES

CC1(C2CCC(C2)(C1SCC(C(=O)OC)NC(=O)C(CC(=O)O)N)C)C

InChI

InChI=1S/C18H30N2O5S/c1-17(2)10-5-6-18(3,8-10)16(17)26-9-12(15(24)25-4)20-14(23)11(19)7-13(21)22/h10-12,16H,5-9,19H2,1-4H3,(H,20,23)(H,21,22)