3-azanyl-4-[[3-[cyclopentyl-(2,5-dimethylcyclopentyl)methyl]sulfanyl-1-methoxy-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-azanyl-4-[[3-[cyclopentyl-(2,5-dimethylcyclopentyl)methyl]sulfanyl-1-methoxy-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-[[1-[[cyclopentyl-(2,5-dimethylcyclopentyl)methyl]sulfanylmethyl]-2-methoxy-2-oxo-ethyl]amino]-4-oxo-butanoic acid CAS Name: 3-amino-4-[[3-[[cyclopentyl-(2,5-dimethylcyclopentyl)methyl]thio]-1-methoxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 3-amino-4-[[3-[cyclopentyl-(2,5-dimethylcyclopentyl)methyl]sulfanyl-1-methoxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid Traditional Name: 3-amino-4-[[1-[[[cyclopentyl-(2,5-dimethylcyclopentyl)methyl]thio]methyl]-2-keto-2-methoxy-ethyl]amino]-4-keto-butyric acid Formula: C21H36N2O5S MolecularWeight: 428.58594

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C1C(C2CCCC2)SCC(C(=O)OC)NC(=O)C(CC(=O)O)N)C

Isomeric SMILES

CC1CCC(C1C(C2CCCC2)SCC(C(=O)OC)NC(=O)C(CC(=O)O)N)C

InChI

InChI=1S/C21H36N2O5S/c1-12-8-9-13(2)18(12)19(14-6-4-5-7-14)29-11-16(21(27)28-3)23-20(26)15(22)10-17(24)25/h12-16,18-19H,4-11,22H2,1-3H3,(H,23,26)(H,24,25)