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

Systemtic Name: 3-azanyl-4-[2-(1-ethylcyclopentyl)-2-[(1-methoxy-1-oxidanylidene-3-sulfanyl-propan-2-yl)amino]cyclopentyl]-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-[2-(1-ethylcyclopentyl)-2-[[2-methoxy-2-oxo-1-(sulfanylmethyl)ethyl]amino]cyclopentyl]-4-oxo-butanoic acid CAS Name: 3-amino-4-[2-(1-ethylcyclopentyl)-2-[(3-mercapto-1-methoxy-1-oxopropan-2-yl)amino]cyclopentyl]-4-oxobutanoic acid IUPAC Name: 3-amino-4-[2-(1-ethylcyclopentyl)-2-[(1-methoxy-1-oxo-3-sulfanylpropan-2-yl)amino]cyclopentyl]-4-oxobutanoic acid Traditional Name: 3-amino-4-[2-(1-ethylcyclopentyl)-2-[[2-keto-1-(mercaptomethyl)-2-methoxy-ethyl]amino]cyclopentyl]-4-keto-butyric acid Formula: C20H34N2O5S MolecularWeight: 414.55936

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCCC1)C2(CCCC2C(=O)C(CC(=O)O)N)NC(CS)C(=O)OC

Isomeric SMILES

CCC1(CCCC1)C2(CCCC2C(=O)C(CC(=O)O)N)NC(CS)C(=O)OC

InChI

InChI=1S/C20H34N2O5S/c1-3-19(8-4-5-9-19)20(22-15(12-28)18(26)27-2)10-6-7-13(20)17(25)14(21)11-16(23)24/h13-15,22,28H,3-12,21H2,1-2H3,(H,23,24)