4-[4-[2-[4-(2,3-dihydroindol-1-ylcarbonylamino)phenyl]ethanoyl-methyl-amino]phenyl]-4-[(5-methyl-1,2-oxazol-3-yl)carbonylamino]butanoic acid

Systemtic Name: 4-[4-[2-[4-(2,3-dihydroindol-1-ylcarbonylamino)phenyl]ethanoyl-methyl-amino]phenyl]-4-[(5-methyl-1,2-oxazol-3-yl)carbonylamino]butanoic acid Openeye Name: 4-[4-[[2-[4-(indoline-1-carbonylamino)phenyl]acetyl]-methyl-amino]phenyl]-4-[(5-methylisoxazole-3-carbonyl)amino]butanoic acid CAS Name: 4-[4-[[2-[4-[[2,3-dihydroindol-1-yl(oxo)methyl]amino]phenyl]-1-oxoethyl]-methylamino]phenyl]-4-[[(5-methyl-3-isoxazolyl)-oxomethyl]amino]butanoic acid IUPAC Name: 4-[4-[[2-[4-(2,3-dihydroindole-1-carbonylamino)phenyl]acetyl]-methylamino]phenyl]-4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid Traditional Name: 4-[4-[[2-[4-(indoline-1-carbonylamino)phenyl]acetyl]-methyl-amino]phenyl]-4-[(5-methylisoxazole-3-carbonyl)amino]butyric acid Formula: C33H33N5O6 MolecularWeight: 595.64502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C(=O)NC(CCC(=O)O)C2=CC=C(C=C2)N(C)C(=O)CC3=CC=C(C=C3)NC(=O)N4CCC5=CC=CC=C54

Isomeric SMILES

CC1=CC(=NO1)C(=O)NC(CCC(=O)O)C2=CC=C(C=C2)N(C)C(=O)CC3=CC=C(C=C3)NC(=O)N4CCC5=CC=CC=C54

InChI

InChI=1S/C33H33N5O6/c1-21-19-28(36-44-21)32(42)35-27(15-16-31(40)41)23-9-13-26(14-10-23)37(2)30(39)20-22-7-11-25(12-8-22)34-33(43)38-18-17-24-5-3-4-6-29(24)38/h3-14,19,27H,15-18,20H2,1-2H3,(H,34,43)(H,35,42)(H,40,41)