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

Systemtic Name: 5-azanyl-2-[[3-ethanoylsulfanyl-4-(4-methoxyphenyl)-4-oxidanylidene-butanoyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 2-[[3-acetylsulfanyl-4-(4-methoxyphenyl)-4-oxo-butanoyl]amino]-5-amino-5-oxo-pentanoic acid CAS Name: 2-[[3-(acetylthio)-4-(4-methoxyphenyl)-1,4-dioxobutyl]amino]-5-amino-5-oxopentanoic acid IUPAC Name: 2-[[3-acetylsulfanyl-4-(4-methoxyphenyl)-4-oxobutanoyl]amino]-5-amino-5-oxopentanoic acid Traditional Name: 2-[[3-(acetylthio)-4-keto-4-(4-methoxyphenyl)butanoyl]amino]-5-amino-5-keto-valeric acid Formula: C18H22N2O7S MolecularWeight: 410.44148

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O7S/c1-10(21)28-14(17(24)11-3-5-12(27-2)6-4-11)9-16(23)20-13(18(25)26)7-8-15(19)22/h3-6,13-14H,7-9H2,1-2H3,(H2,19,22)(H,20,23)(H,25,26)