2-[(Z)-1-[[2-[[2-[6-aminocarbonyl-2-(2-ethanoyl-1,3-oxazol-4-yl)pyridin-3-yl]-1,3-thiazol-4-yl]carbonylamino]-3-oxidanyl-butanoyl]amino]prop-1-enyl]-N-[[4-[1-(4-aminocarbonyl-1,3-thiazol-2-yl)ethylcarbamoyl]-1,3-thiazol-2-yl]methyl]-1,3-oxazole-4-carboxamide

Systemtic Name: 2-[(Z)-1-[[2-[[2-[6-aminocarbonyl-2-(2-ethanoyl-1,3-oxazol-4-yl)pyridin-3-yl]-1,3-thiazol-4-yl]carbonylamino]-3-oxidanyl-butanoyl]amino]prop-1-enyl]-N-[[4-[1-(4-aminocarbonyl-1,3-thiazol-2-yl)ethylcarbamoyl]-1,3-thiazol-2-yl]methyl]-1,3-oxazole-4-carboxamide Openeye Name: 2-[(Z)-1-[[2-[[2-[2-(2-acetyloxazol-4-yl)-6-carbamoyl-3-pyridyl]thiazole-4-carbonyl]amino]-3-hydroxy-butanoyl]amino]prop-1-enyl]-N-[[4-[1-(4-carbamoylthiazol-2-yl)ethylcarbamoyl]thiazol-2-yl]methyl]oxazole-4-carboxamide CAS Name: 2-[(Z)-1-[[2-[[[2-[2-(2-acetyl-4-oxazolyl)-6-carbamoyl-3-pyridinyl]-4-thiazolyl]-oxomethyl]amino]-3-hydroxy-1-oxobutyl]amino]prop-1-enyl]-N-[[4-[[1-(4-carbamoyl-2-thiazolyl)ethylamino]-oxomethyl]-2-thiazolyl]methyl]-4-oxazolecarboxamide IUPAC Name: 2-[(Z)-1-[[2-[[2-[2-(2-acetyl-1,3-oxazol-4-yl)-6-carbamoylpyridin-3-yl]-1,3-thiazole-4-carbonyl]amino]-3-hydroxybutanoyl]amino]prop-1-enyl]-N-[[4-[1-(4-carbamoyl-1,3-thiazol-2-yl)ethylcarbamoyl]-1,3-thiazol-2-yl]methyl]-1,3-oxazole-4-carboxamide Traditional Name: 2-[(Z)-1-[[2-[[2-[2-(2-acetyloxazol-4-yl)-6-carbamoyl-3-pyridyl]thiazole-4-carbonyl]amino]-3-hydroxy-butanoyl]amino]prop-1-enyl]-N-[[4-[1-(4-carbamoylthiazol-2-yl)ethylcarbamoyl]thiazol-2-yl]methyl]oxazole-4-carboxamide Formula: C37H34N12O10S3 MolecularWeight: 902.93526

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C1=NC(=CO1)C(=O)NCC2=NC(=CS2)C(=O)NC(C)C3=NC(=CS3)C(=O)N)NC(=O)C(C(C)O)NC(=O)C4=CSC(=N4)C5=C(N=C(C=C5)C(=O)N)C6=COC(=N6)C(=O)C

Isomeric SMILES

C/C=C(/C1=NC(=CO1)C(=O)NCC2=NC(=CS2)C(=O)NC(C)C3=NC(=CS3)C(=O)N)\NC(=O)C(C(C)O)NC(=O)C4=CSC(=N4)C5=C(N=C(C=C5)C(=O)N)C6=COC(=N6)C(=O)C

InChI

InChI=1S/C37H34N12O10S3/c1-5-18(35-46-21(10-59-35)30(54)40-8-25-42-23(12-60-25)31(55)41-14(2)36-47-22(11-61-36)29(39)53)44-33(57)26(15(3)50)49-32(56)24-13-62-37(48-24)17-6-7-19(28(38)52)43-27(17)20-9-58-34(45-20)16(4)51/h5-7,9-15,26,50H,8H2,1-4H3,(H2,38,52)(H2,39,53)(H,40,54)(H,41,55)(H,44,57)(H,49,56)/b18-5-