4-[4-[(2-azanyl-5-thiophen-2-yl-phenyl)carbamoyl]cyclohexa-1,5-dien-1-yl]-2-methyl-5-(methylamino)-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-[4-[(2-azanyl-5-thiophen-2-yl-phenyl)carbamoyl]cyclohexa-1,5-dien-1-yl]-2-methyl-5-(methylamino)-5-oxidanylidene-pentanoic acid Openeye Name: 4-[4-[[2-amino-5-(2-thienyl)phenyl]carbamoyl]cyclohexa-1,5-dien-1-yl]-2-methyl-5-(methylamino)-5-oxo-pentanoic acid CAS Name: 4-[4-[(2-amino-5-thiophen-2-ylanilino)-oxomethyl]-1-cyclohexa-1,5-dienyl]-2-methyl-5-(methylamino)-5-oxopentanoic acid IUPAC Name: 4-[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]cyclohexa-1,5-dien-1-yl]-2-methyl-5-(methylamino)-5-oxopentanoic acid Traditional Name: 4-[4-[[2-amino-5-(2-thienyl)phenyl]carbamoyl]cyclohexa-1,5-dien-1-yl]-5-keto-2-methyl-5-(methylamino)valeric acid Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C1=CCC(C=C1)C(=O)NC2=C(C=CC(=C2)C3=CC=CS3)N)C(=O)NC)C(=O)O

Isomeric SMILES

CC(CC(C1=CCC(C=C1)C(=O)NC2=C(C=CC(=C2)C3=CC=CS3)N)C(=O)NC)C(=O)O

InChI

InChI=1S/C24H27N3O4S/c1-14(24(30)31)12-18(23(29)26-2)15-5-7-16(8-6-15)22(28)27-20-13-17(9-10-19(20)25)21-4-3-11-32-21/h3-7,9-11,13-14,16,18H,8,12,25H2,1-2H3,(H,26,29)(H,27,28)(H,30,31)