2-[5-[4-[[3-azanyl-3-oxidanylidene-1-[4-[(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)carbamoyl]-1,3-thiazol-2-yl]propyl]carbamoyl]-5-methyl-1,3-oxazol-2-yl]-6-[2-[2-(3-methyl-5-oxidanyl-pyrrolidin-2-yl)-1,3-thiazol-4-yl]-1,3-thiazol-4-yl]pyridin-2-yl]-1,3-thiazole-4-carboxylic acid

Systemtic Name: 2-[5-[4-[[3-azanyl-3-oxidanylidene-1-[4-[(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)carbamoyl]-1,3-thiazol-2-yl]propyl]carbamoyl]-5-methyl-1,3-oxazol-2-yl]-6-[2-[2-(3-methyl-5-oxidanyl-pyrrolidin-2-yl)-1,3-thiazol-4-yl]-1,3-thiazol-4-yl]pyridin-2-yl]-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[5-[4-[[3-amino-1-[4-[(1-benzyl-2-hydroxy-2-oxo-ethyl)carbamoyl]thiazol-2-yl]-3-oxo-propyl]carbamoyl]-5-methyl-oxazol-2-yl]-6-[2-[2-(5-hydroxy-3-methyl-pyrrolidin-2-yl)thiazol-4-yl]thiazol-4-yl]-2-pyridyl]thiazole-4-carboxylic acid CAS Name: 2-[5-[4-[[[3-amino-1-[4-[[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]-oxomethyl]-2-thiazolyl]-3-oxopropyl]amino]-oxomethyl]-5-methyl-2-oxazolyl]-6-[2-[2-(5-hydroxy-3-methyl-2-pyrrolidinyl)-4-thiazolyl]-4-thiazolyl]-2-pyridinyl]-4-thiazolecarboxylic acid IUPAC Name: 2-[5-[4-[[3-amino-1-[4-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)carbamoyl]-1,3-thiazol-2-yl]-3-oxopropyl]carbamoyl]-5-methyl-1,3-oxazol-2-yl]-6-[2-[2-(5-hydroxy-3-methylpyrrolidin-2-yl)-1,3-thiazol-4-yl]-1,3-thiazol-4-yl]pyridin-2-yl]-1,3-thiazole-4-carboxylic acid Traditional Name: 2-[5-[4-[[3-amino-1-[4-[(1-benzyl-2-hydroxy-2-keto-ethyl)carbamoyl]thiazol-2-yl]-3-keto-propyl]carbamoyl]-5-methyl-oxazol-2-yl]-6-[2-[2-(5-hydroxy-3-methyl-pyrrolidin-2-yl)thiazol-4-yl]thiazol-4-yl]-2-pyridyl]thiazole-4-carboxylic acid Formula: C41H36N10O9S4 MolecularWeight: 941.04614

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(NC1C2=NC(=CS2)C3=NC(=CS3)C4=C(C=CC(=N4)C5=NC(=CS5)C(=O)O)C6=NC(=C(O6)C)C(=O)NC(CC(=O)N)C7=NC(=CS7)C(=O)NC(CC8=CC=CC=C8)C(=O)O)O

Isomeric SMILES

CC1CC(NC1C2=NC(=CS2)C3=NC(=CS3)C4=C(C=CC(=N4)C5=NC(=CS5)C(=O)O)C6=NC(=C(O6)C)C(=O)NC(CC(=O)N)C7=NC(=CS7)C(=O)NC(CC8=CC=CC=C8)C(=O)O)O

InChI

InChI=1S/C41H36N10O9S4/c1-17-10-29(53)50-30(17)39-48-26(15-64-39)38-46-24(13-61-38)32-20(8-9-21(43-32)36-49-27(16-63-36)41(58)59)35-51-31(18(2)60-35)34(55)44-22(12-28(42)52)37-47-25(14-62-37)33(54)45-23(40(56)57)11-19-6-4-3-5-7-19/h3-9,13-17,22-23,29-30,50,53H,10-12H2,1-2H3,(H2,42,52)(H,44,55)(H,45,54)(H,56,57)(H,58,59)