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

Systemtic Name: 5-[4-[[4-oxidanylidene-4-[[1-(3-oxidanylidene-3-phenylazanyl-propyl)-1,2,3-triazol-4-yl]methylamino]butanoyl]amino]phenyl]-1,2-oxazole-3-carboxylic acid Openeye Name: 5-[4-[[4-[[1-(3-anilino-3-oxo-propyl)triazol-4-yl]methylamino]-4-oxo-butanoyl]amino]phenyl]isoxazole-3-carboxylic acid CAS Name: 5-[4-[[4-[[1-(3-anilino-3-oxopropyl)-4-triazolyl]methylamino]-1,4-dioxobutyl]amino]phenyl]-3-isoxazolecarboxylic acid IUPAC Name: 5-[4-[[4-[[1-(3-anilino-3-oxopropyl)triazol-4-yl]methylamino]-4-oxobutanoyl]amino]phenyl]-1,2-oxazole-3-carboxylic acid Traditional Name: 5-[4-[[4-[[1-(3-anilino-3-keto-propyl)triazol-4-yl]methylamino]-4-keto-butanoyl]amino]phenyl]isoxazole-3-carboxylic acid Formula: C26H25N7O6 MolecularWeight: 531.52

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CCN2C=C(N=N2)CNC(=O)CCC(=O)NC3=CC=C(C=C3)C4=CC(=NO4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CCN2C=C(N=N2)CNC(=O)CCC(=O)NC3=CC=C(C=C3)C4=CC(=NO4)C(=O)O

InChI

InChI=1S/C26H25N7O6/c34-23(27-15-20-16-33(32-30-20)13-12-25(36)28-18-4-2-1-3-5-18)10-11-24(35)29-19-8-6-17(7-9-19)22-14-21(26(37)38)31-39-22/h1-9,14,16H,10-13,15H2,(H,27,34)(H,28,36)(H,29,35)(H,37,38)