5-[4-[[4-oxidanylidene-4-[[1-[5-oxidanylidene-5-(1,3-thiazol-2-ylamino)pentyl]-1,2,3-triazol-4-yl]methylamino]butanoyl]amino]phenyl]-1,2-oxazole-3-carboxylic acid

Systemtic Name: 5-[4-[[4-oxidanylidene-4-[[1-[5-oxidanylidene-5-(1,3-thiazol-2-ylamino)pentyl]-1,2,3-triazol-4-yl]methylamino]butanoyl]amino]phenyl]-1,2-oxazole-3-carboxylic acid Openeye Name: 5-[4-[[4-oxo-4-[[1-[5-oxo-5-(thiazol-2-ylamino)pentyl]triazol-4-yl]methylamino]butanoyl]amino]phenyl]isoxazole-3-carboxylic acid CAS Name: 5-[4-[[1,4-dioxo-4-[[1-[5-oxo-5-(2-thiazolylamino)pentyl]-4-triazolyl]methylamino]butyl]amino]phenyl]-3-isoxazolecarboxylic acid IUPAC Name: 5-[4-[[4-oxo-4-[[1-[5-oxo-5-(1,3-thiazol-2-ylamino)pentyl]triazol-4-yl]methylamino]butanoyl]amino]phenyl]-1,2-oxazole-3-carboxylic acid Traditional Name: 5-[4-[[4-keto-4-[[1-[5-keto-5-(thiazol-2-ylamino)pentyl]triazol-4-yl]methylamino]butanoyl]amino]phenyl]isoxazole-3-carboxylic acid Formula: C25H26N8O6S MolecularWeight: 566.58894

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC(=NO2)C(=O)O)NC(=O)CCC(=O)NCC3=CN(N=N3)CCCCC(=O)NC4=NC=CS4

Isomeric SMILES

C1=CC(=CC=C1C2=CC(=NO2)C(=O)O)NC(=O)CCC(=O)NCC3=CN(N=N3)CCCCC(=O)NC4=NC=CS4

InChI

InChI=1S/C25H26N8O6S/c34-21(8-9-23(36)28-17-6-4-16(5-7-17)20-13-19(24(37)38)31-39-20)27-14-18-15-33(32-30-18)11-2-1-3-22(35)29-25-26-10-12-40-25/h4-7,10,12-13,15H,1-3,8-9,11,14H2,(H,27,34)(H,28,36)(H,37,38)(H,26,29,35)