4-[4-[2-[4-(2,3-dihydroindol-1-ylcarbonylamino)phenyl]ethanoylamino]phenyl]-1-[(5-methyl-1,2-oxazol-3-yl)carbonyl]pyrrolidine-3-carboxylic acid

Systemtic Name: 4-[4-[2-[4-(2,3-dihydroindol-1-ylcarbonylamino)phenyl]ethanoylamino]phenyl]-1-[(5-methyl-1,2-oxazol-3-yl)carbonyl]pyrrolidine-3-carboxylic acid Openeye Name: 4-[4-[[2-[4-(indoline-1-carbonylamino)phenyl]acetyl]amino]phenyl]-1-(5-methylisoxazole-3-carbonyl)pyrrolidine-3-carboxylic acid CAS Name: 4-[4-[[2-[4-[[2,3-dihydroindol-1-yl(oxo)methyl]amino]phenyl]-1-oxoethyl]amino]phenyl]-1-[(5-methyl-3-isoxazolyl)-oxomethyl]-3-pyrrolidinecarboxylic acid IUPAC Name: 4-[4-[[2-[4-(2,3-dihydroindole-1-carbonylamino)phenyl]acetyl]amino]phenyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)pyrrolidine-3-carboxylic acid Traditional Name: 4-[4-[[2-[4-(indoline-1-carbonylamino)phenyl]acetyl]amino]phenyl]-1-(5-methylisoxazole-3-carbonyl)pyrrolidine-3-carboxylic acid Formula: C33H31N5O6 MolecularWeight: 593.62914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C(=O)N2CC(C(C2)C(=O)O)C3=CC=C(C=C3)NC(=O)CC4=CC=C(C=C4)NC(=O)N5CCC6=CC=CC=C65

Isomeric SMILES

CC1=CC(=NO1)C(=O)N2CC(C(C2)C(=O)O)C3=CC=C(C=C3)NC(=O)CC4=CC=C(C=C4)NC(=O)N5CCC6=CC=CC=C65

InChI

InChI=1S/C33H31N5O6/c1-20-16-28(36-44-20)31(40)37-18-26(27(19-37)32(41)42)22-8-12-24(13-9-22)34-30(39)17-21-6-10-25(11-7-21)35-33(43)38-15-14-23-4-2-3-5-29(23)38/h2-13,16,26-27H,14-15,17-19H2,1H3,(H,34,39)(H,35,43)(H,41,42)