3-[[4-[3-[1-(4-tert-butylphenyl)-5-methoxy-indol-2-yl]-2-(cyclopropylmethyl)-3-oxidanylidene-propyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[3-[1-(4-tert-butylphenyl)-5-methoxy-indol-2-yl]-2-(cyclopropylmethyl)-3-oxidanylidene-propyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[3-[1-(4-tert-butylphenyl)-5-methoxy-indol-2-yl]-2-(cyclopropylmethyl)-3-oxo-propyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[3-[1-(4-tert-butylphenyl)-5-methoxy-2-indolyl]-2-(cyclopropylmethyl)-3-oxopropyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[3-[1-(4-tert-butylphenyl)-5-methoxyindol-2-yl]-2-(cyclopropylmethyl)-3-oxopropyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[3-[1-(4-tert-butylphenyl)-5-methoxy-indol-2-yl]-2-(cyclopropylmethyl)-3-keto-propyl]benzoyl]amino]propionic acid Formula: C36H40N2O5 MolecularWeight: 580.7132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N2C3=C(C=C(C=C3)OC)C=C2C(=O)C(CC4CC4)CC5=CC=C(C=C5)C(=O)NCCC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N2C3=C(C=C(C=C3)OC)C=C2C(=O)C(CC4CC4)CC5=CC=C(C=C5)C(=O)NCCC(=O)O

InChI

InChI=1S/C36H40N2O5/c1-36(2,3)28-11-13-29(14-12-28)38-31-16-15-30(43-4)21-26(31)22-32(38)34(41)27(19-23-5-6-23)20-24-7-9-25(10-8-24)35(42)37-18-17-33(39)40/h7-16,21-23,27H,5-6,17-20H2,1-4H3,(H,37,42)(H,39,40)