4-[4-[2-[2-[(2-chloranyl-6-methyl-phenyl)amino]-1,3-benzoxazol-6-yl]ethanoylamino]phenyl]-1-[(5-methyl-2,5-dihydro-1,2-oxazol-3-yl)carbonyl]pyrrolidine-3-carboxylic acid

Systemtic Name: 4-[4-[2-[2-[(2-chloranyl-6-methyl-phenyl)amino]-1,3-benzoxazol-6-yl]ethanoylamino]phenyl]-1-[(5-methyl-2,5-dihydro-1,2-oxazol-3-yl)carbonyl]pyrrolidine-3-carboxylic acid Openeye Name: 4-[4-[[2-[2-(2-chloro-6-methyl-anilino)-1,3-benzoxazol-6-yl]acetyl]amino]phenyl]-1-(5-methyl-2,5-dihydroisoxazole-3-carbonyl)pyrrolidine-3-carboxylic acid CAS Name: 4-[4-[[2-[2-(2-chloro-6-methylanilino)-1,3-benzoxazol-6-yl]-1-oxoethyl]amino]phenyl]-1-[(5-methyl-2,5-dihydroisoxazol-3-yl)-oxomethyl]-3-pyrrolidinecarboxylic acid IUPAC Name: 4-[4-[[2-[2-(2-chloro-6-methylanilino)-1,3-benzoxazol-6-yl]acetyl]amino]phenyl]-1-(5-methyl-2,5-dihydro-1,2-oxazole-3-carbonyl)pyrrolidine-3-carboxylic acid Traditional Name: 4-[4-[[2-[2-(2-chloro-6-methyl-anilino)-1,3-benzoxazol-6-yl]acetyl]amino]phenyl]-1-(5-methyl-3-isoxazoline-3-carbonyl)pyrrolidine-3-carboxylic acid Formula: C32H30ClN5O6 MolecularWeight: 616.0635

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(NO1)C(=O)N2CC(C(C2)C(=O)O)C3=CC=C(C=C3)NC(=O)CC4=CC5=C(C=C4)N=C(O5)NC6=C(C=CC=C6Cl)C

Isomeric SMILES

CC1C=C(NO1)C(=O)N2CC(C(C2)C(=O)O)C3=CC=C(C=C3)NC(=O)CC4=CC5=C(C=C4)N=C(O5)NC6=C(C=CC=C6Cl)C

InChI

InChI=1S/C32H30ClN5O6/c1-17-4-3-5-24(33)29(17)36-32-35-25-11-6-19(13-27(25)43-32)14-28(39)34-21-9-7-20(8-10-21)22-15-38(16-23(22)31(41)42)30(40)26-12-18(2)44-37-26/h3-13,18,22-23,37H,14-16H2,1-2H3,(H,34,39)(H,35,36)(H,41,42)