3-[[5-(4-tert-butylphenyl)-1-(4-cyclopentyloxyphenyl)indol-2-yl]carbonylamino]-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: 3-[[5-(4-tert-butylphenyl)-1-(4-cyclopentyloxyphenyl)indol-2-yl]carbonylamino]-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-[[5-(4-tert-butylphenyl)-1-[4-(cyclopentoxy)phenyl]indole-2-carbonyl]amino]propanoic acid CAS Name: 3-[[[5-(4-tert-butylphenyl)-1-(4-cyclopentyloxyphenyl)-2-indolyl]-oxomethyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-[[5-(4-tert-butylphenyl)-1-(4-cyclopentyloxyphenyl)indole-2-carbonyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-[[5-(4-tert-butylphenyl)-1-[4-(cyclopentoxy)phenyl]indole-2-carbonyl]amino]propionic acid Formula: C41H43N3O6 MolecularWeight: 673.79662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=CC3=C(C=C2)N(C(=C3)C(=O)NCC(C(=O)O)NC(=O)OCC4=CC=CC=C4)C5=CC=C(C=C5)OC6CCCC6

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=CC3=C(C=C2)N(C(=C3)C(=O)NCC(C(=O)O)NC(=O)OCC4=CC=CC=C4)C5=CC=C(C=C5)OC6CCCC6

InChI

InChI=1S/C41H43N3O6/c1-41(2,3)31-16-13-28(14-17-31)29-15-22-36-30(23-29)24-37(44(36)32-18-20-34(21-19-32)50-33-11-7-8-12-33)38(45)42-25-35(39(46)47)43-40(48)49-26-27-9-5-4-6-10-27/h4-6,9-10,13-24,33,35H,7-8,11-12,25-26H2,1-3H3,(H,42,45)(H,43,48)(H,46,47)