2-[[4-methoxy-1-(3-methoxy-2-oxidanylidene-1-sulfanyl-propyl)cyclohexyl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[4-methoxy-1-(3-methoxy-2-oxidanylidene-1-sulfanyl-propyl)cyclohexyl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[4-methoxy-1-(3-methoxy-2-oxo-1-sulfanyl-propyl)cyclohexanecarbonyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[1-(1-mercapto-3-methoxy-2-oxopropyl)-4-methoxycyclohexyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[4-methoxy-1-(3-methoxy-2-oxo-1-sulfanylpropyl)cyclohexanecarbonyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[1-(2-keto-1-mercapto-3-methoxy-propyl)-4-methoxy-cyclohexanecarbonyl]amino]-3-phenyl-propionic acid Formula: C21H29NO6S MolecularWeight: 423.52306

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)C(C1(CCC(CC1)OC)C(=O)NC(CC2=CC=CC=C2)C(=O)O)S

Isomeric SMILES

COCC(=O)C(C1(CCC(CC1)OC)C(=O)NC(CC2=CC=CC=C2)C(=O)O)S

InChI

InChI=1S/C21H29NO6S/c1-27-13-17(23)18(29)21(10-8-15(28-2)9-11-21)20(26)22-16(19(24)25)12-14-6-4-3-5-7-14/h3-7,15-16,18,29H,8-13H2,1-2H3,(H,22,26)(H,24,25)