3-azanyl-4-[[1-methoxy-1-oxidanylidene-3-(1-propylcycloheptyl)sulfanyl-propan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-azanyl-4-[[1-methoxy-1-oxidanylidene-3-(1-propylcycloheptyl)sulfanyl-propan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-[[2-methoxy-2-oxo-1-[(1-propylcycloheptyl)sulfanylmethyl]ethyl]amino]-4-oxo-butanoic acid CAS Name: 3-amino-4-[[1-methoxy-1-oxo-3-[(1-propylcycloheptyl)thio]propan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 3-amino-4-[[1-methoxy-1-oxo-3-(1-propylcycloheptyl)sulfanylpropan-2-yl]amino]-4-oxobutanoic acid Traditional Name: 3-amino-4-keto-4-[[2-keto-2-methoxy-1-[[(1-propylcycloheptyl)thio]methyl]ethyl]amino]butyric acid Formula: C18H32N2O5S MolecularWeight: 388.52208

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(CCCCCC1)SCC(C(=O)OC)NC(=O)C(CC(=O)O)N

Isomeric SMILES

CCCC1(CCCCCC1)SCC(C(=O)OC)NC(=O)C(CC(=O)O)N

InChI

InChI=1S/C18H32N2O5S/c1-3-8-18(9-6-4-5-7-10-18)26-12-14(17(24)25-2)20-16(23)13(19)11-15(21)22/h13-14H,3-12,19H2,1-2H3,(H,20,23)(H,21,22)