4-[3-[3,5-bis[(2-methylpropan-2-yl)oxycarbonyl-[[4-(2-methylpropyl)phenyl]methyl]amino]phenyl]carbonylindol-1-yl]butanoic acid

Systemtic Name: 4-[3-[3,5-bis[(2-methylpropan-2-yl)oxycarbonyl-[[4-(2-methylpropyl)phenyl]methyl]amino]phenyl]carbonylindol-1-yl]butanoic acid Openeye Name: 4-[3-[3,5-bis[tert-butoxycarbonyl-[(4-isobutylphenyl)methyl]amino]benzoyl]indol-1-yl]butanoic acid CAS Name: 4-[3-[[3,5-bis[[(2-methylpropan-2-yl)oxy-oxomethyl]-[[4-(2-methylpropyl)phenyl]methyl]amino]phenyl]-oxomethyl]-1-indolyl]butanoic acid IUPAC Name: 4-[3-[3,5-bis[(2-methylpropan-2-yl)oxycarbonyl-[[4-(2-methylpropyl)phenyl]methyl]amino]benzoyl]indol-1-yl]butanoic acid Traditional Name: 4-[3-[3,5-bis[tert-butoxycarbonyl-(4-isobutylbenzyl)amino]benzoyl]indol-1-yl]butyric acid Formula: C51H63N3O7 MolecularWeight: 830.06182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)CN(C2=CC(=CC(=C2)C(=O)C3=CN(C4=CC=CC=C43)CCCC(=O)O)N(CC5=CC=C(C=C5)CC(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)CN(C2=CC(=CC(=C2)C(=O)C3=CN(C4=CC=CC=C43)CCCC(=O)O)N(CC5=CC=C(C=C5)CC(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C51H63N3O7/c1-34(2)26-36-17-21-38(22-18-36)31-53(48(58)60-50(5,6)7)41-28-40(47(57)44-33-52(25-13-16-46(55)56)45-15-12-11-14-43(44)45)29-42(30-41)54(49(59)61-51(8,9)10)32-39-23-19-37(20-24-39)27-35(3)4/h11-12,14-15,17-24,28-30,33-35H,13,16,25-27,31-32H2,1-10H3,(H,55,56)