3-[[3-[4-[butyl(methyl)amino]-3-[(4-tert-butylphenyl)carbonylamino]phenyl]phenyl]methyl-pyridin-3-ylcarbonyl-amino]propanoic acid

Systemtic Name: 3-[[3-[4-[butyl(methyl)amino]-3-[(4-tert-butylphenyl)carbonylamino]phenyl]phenyl]methyl-pyridin-3-ylcarbonyl-amino]propanoic acid Openeye Name: 3-[[3-[3-[(4-tert-butylbenzoyl)amino]-4-[butyl(methyl)amino]phenyl]phenyl]methyl-(pyridine-3-carbonyl)amino]propanoic acid CAS Name: 3-[[3-[4-[butyl(methyl)amino]-3-[[(4-tert-butylphenyl)-oxomethyl]amino]phenyl]phenyl]methyl-[oxo(3-pyridinyl)methyl]amino]propanoic acid IUPAC Name: 3-[[3-[3-[(4-tert-butylbenzoyl)amino]-4-[butyl(methyl)amino]phenyl]phenyl]methyl-(pyridine-3-carbonyl)amino]propanoic acid Traditional Name: 3-[[3-[3-[(4-tert-butylbenzoyl)amino]-4-[butyl(methyl)amino]phenyl]benzyl]-nicotinoyl-amino]propionic acid Formula: C38H44N4O4 MolecularWeight: 620.78036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C1=C(C=C(C=C1)C2=CC(=CC=C2)CN(CCC(=O)O)C(=O)C3=CN=CC=C3)NC(=O)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CCCCN(C)C1=C(C=C(C=C1)C2=CC(=CC=C2)CN(CCC(=O)O)C(=O)C3=CN=CC=C3)NC(=O)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C38H44N4O4/c1-6-7-21-41(5)34-18-15-30(24-33(34)40-36(45)28-13-16-32(17-14-28)38(2,3)4)29-11-8-10-27(23-29)26-42(22-19-35(43)44)37(46)31-12-9-20-39-25-31/h8-18,20,23-25H,6-7,19,21-22,26H2,1-5H3,(H,40,45)(H,43,44)