5-azanyl-2-[[3-ethanoylsulfanyl-4-(3-fluoranyl-4-methoxy-phenyl)-4-oxidanylidene-butanoyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-azanyl-2-[[3-ethanoylsulfanyl-4-(3-fluoranyl-4-methoxy-phenyl)-4-oxidanylidene-butanoyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 2-[[3-acetylsulfanyl-4-(3-fluoro-4-methoxy-phenyl)-4-oxo-butanoyl]amino]-5-amino-5-oxo-pentanoic acid CAS Name: 2-[[3-(acetylthio)-4-(3-fluoro-4-methoxyphenyl)-1,4-dioxobutyl]amino]-5-amino-5-oxopentanoic acid IUPAC Name: 2-[[3-acetylsulfanyl-4-(3-fluoro-4-methoxyphenyl)-4-oxobutanoyl]amino]-5-amino-5-oxopentanoic acid Traditional Name: 2-[[3-(acetylthio)-4-(3-fluoro-4-methoxy-phenyl)-4-keto-butanoyl]amino]-5-amino-5-keto-valeric acid Formula: C18H21FN2O7S MolecularWeight: 428.431943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CC(=O)NC(CCC(=O)N)C(=O)O)C(=O)C1=CC(=C(C=C1)OC)F

Isomeric SMILES

CC(=O)SC(CC(=O)NC(CCC(=O)N)C(=O)O)C(=O)C1=CC(=C(C=C1)OC)F

InChI

InChI=1S/C18H21FN2O7S/c1-9(22)29-14(17(25)10-3-5-13(28-2)11(19)7-10)8-16(24)21-12(18(26)27)4-6-15(20)23/h3,5,7,12,14H,4,6,8H2,1-2H3,(H2,20,23)(H,21,24)(H,26,27)